| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:04:48 UTC |
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| Update date | 2020-09-17 15:38:56 UTC |
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| Primary ID | FDB001014 |
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| Secondary Accession Numbers | |
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| Chemical Information |
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| FooDB Name | Nicotinic acid |
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| Description | Nicotinic acid, also known as niacin or 3-carboxypyridine, belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. Nicotinic acid is a strong basic compound (based on its pKa). Nicotinic acid exists in all living species, ranging from bacteria to humans. nicotinic acid and ribose 1-phosphate can be biosynthesized from nicotinate D-ribonucleoside through its interaction with the enzyme purine nucleoside phosphorylase. In humans, nicotinic acid is involved in nicotinate and nicotinamide metabolism. Outside of the human body, Nicotinic acid is found, on average, in the highest concentration within a few different foods, such as beers, leavening agents, and yellowfin tuna and in a lower concentration in greater sturgeons, groundcherries, and muskmelons. Nicotinic acid has also been detected, but not quantified in, several different foods, such as chinese bayberries, pineappple sages, green vegetables, brassicas, and cupuaçus. This could make nicotinic acid a potential biomarker for the consumption of these foods. Nicotinic acid is a potentially toxic compound. |
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| CAS Number | 59-67-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Carboxypyridine | ChEBI | | 3-Pyridinecarboxylic acid | ChEBI | | 3-Pyridylcarboxylic acid | ChEBI | | Acide nicotinique | ChEBI | | Acido nicotinico | ChEBI | | Acidum nicotinicum | ChEBI | | Anti-pellagra vitamin | ChEBI | | beta-Pyridinecarboxylic acid | ChEBI | | m-Pyridinecarboxylic acid | ChEBI | | Niacin | ChEBI | | Nikotinsaeure | ChEBI | | P.P. factor | ChEBI | | Pellagra preventive factor | ChEBI | | PP Factor | ChEBI | | Pyridine-beta-carboxylic acid | ChEBI | | Vitamin b3 | ChEBI | | Niacor | Kegg | | Niaspan | Kegg | | 3-Pyridinecarboxylate | Generator | | 3-Pyridylcarboxylate | Generator | | b-Pyridinecarboxylate | Generator | | b-Pyridinecarboxylic acid | Generator | | beta-Pyridinecarboxylate | Generator | | Β-pyridinecarboxylate | Generator | | Β-pyridinecarboxylic acid | Generator | | m-Pyridinecarboxylate | Generator | | Pyridine-b-carboxylate | Generator | | Pyridine-b-carboxylic acid | Generator | | Pyridine-beta-carboxylate | Generator | | Pyridine-β-carboxylate | Generator | | Pyridine-β-carboxylic acid | Generator | | Nicotinate | Generator | | 3-Carboxylpyridine | HMDB | | Akotin | HMDB | | Apelagrin | HMDB | | Daskil | HMDB | | Efacin | HMDB | | Enduracin | HMDB | | Linic | HMDB | | Niac | HMDB | | Niacine | HMDB | | Nicacid | HMDB | | Nicamin | HMDB | | Nicangin | HMDB | | Nico-span | HMDB | | Nicobid | HMDB | | Nicocap | HMDB | | Nicodelmine | HMDB | | Nicolar | HMDB | | Niconacid | HMDB | | Nicosan 3 | HMDB | | Nicotinipca | HMDB | | Nicyl | HMDB | | Nyclin | HMDB | | Pellagrin | HMDB | | Pelonin | HMDB | | Slo-niacin | HMDB | | Wampocap | HMDB | | Aluminum salt, niacin | HMDB | | Induracin | HMDB | | Niacin cobalt (2+) salt | HMDB | | Niacin iron (2+) salt | HMDB | | Niacin lithium salt | HMDB | | Niacin magnesium salt | HMDB | | Niacin sodium salt | HMDB | | Nico-400 | HMDB | | Potassium salt, niacin | HMDB | | Sodium salt, niacin | HMDB | | Tosylate, niacin | HMDB | | Nicotinate, lithium | HMDB | | Hydrochloride, niacin | HMDB | | Niacin aluminum salt | HMDB | | Niacin calcium salt | HMDB | | Niacin copper (2+) salt | HMDB | | Niacin hydrochloride | HMDB | | Niacin lithium salt, hemihydrate | HMDB | | Nico400 | HMDB | | Tartrate, niacin | HMDB | | 3 Pyridinecarboxylic acid | HMDB | | Lithium nicotinate | HMDB | | Niacin ammonium salt | HMDB | | Niacin manganese (2+) salt | HMDB | | Niacin potassium salt | HMDB | | Niacin tartrate | HMDB | | Niacin tosylate | HMDB | | Niacin zinc salt | HMDB | | Nico 400 | HMDB | | Niacin, USAN | db_source | | Niacor (TN) | biospider | | Niaspan (TN) | biospider | | Nicagin | biospider | | Nico-Span | biospider | | Nicotinic acid, INN | db_source | | Pyridine-β-carboxylic acid | biospider | | Pyridine-3-carbonic acid | biospider | | Pyridine-3-carboxylic acid | biospider | | Pyridinecarboxylic acid, 3- | biospider | | Vitamin B3 (Niacin) | manual | | Vitamin PP (Niacin) | manual | | β-pyridinecarboxylate | Generator | | β-pyridinecarboxylic acid | Generator |
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| Predicted Properties | |
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| Chemical Formula | C6H5NO2 |
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| IUPAC name | pyridine-3-carboxylic acid |
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| InChI Identifier | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
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| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C1=CN=CC=C1 |
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| Average Molecular Weight | 123.1094 |
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| Monoisotopic Molecular Weight | 123.032028409 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Pyridinecarboxylic acids and derivatives |
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| Direct Parent | Pyridinecarboxylic acids |
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| Alternative Parents | |
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| Substituents | - Pyridine carboxylic acid
- Heteroaromatic compound
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Physiological effect | Health effect: |
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| Disposition | Route of exposure: Source: Biological location: |
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| Process | Naturally occurring process: |
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| Role | Industrial application: Biological role: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Solid | |
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| Physical Description | Not Available | |
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| Mass Composition | C 58.54%; H 4.09%; N 11.38%; O 25.99% | DFC |
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| Melting Point | Mp 236° (225-227°) | DFC |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | 18 mg/mL at 20 oC | YALKOWSKY,SH & HE,Y (2003) |
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| Experimental logP | 0.36 | SANGSTER (1993) |
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| Experimental pKa | pKa2 4.82 (25°) | DFC |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| EI-MS | Mass Spectrum (Electron Ionization) | splash10-0kor-8900000000-7d3f033a49f5fad75f33 | 2014-09-20 | View Spectrum | | GC-MS | Nicotinic acid, 1 TMS, GC-MS Spectrum | splash10-053i-0900000000-5daf0093df6c21c7279f | Spectrum | | GC-MS | Nicotinic acid, 1 TMS, GC-MS Spectrum | splash10-053i-0900000000-f38b6609b45de8c74565 | Spectrum | | GC-MS | Nicotinic acid, non-derivatized, GC-MS Spectrum | splash10-0540-0900000000-4f55c81a6cd42f1b961d | Spectrum | | GC-MS | Nicotinic acid, 1 TMS, GC-MS Spectrum | splash10-057r-5900000000-00bf3662b5b9db533c0a | Spectrum | | GC-MS | Nicotinic acid, 1 TMS, GC-MS Spectrum | splash10-0569-2900000000-7820ea736b03b71d2cb8 | Spectrum | | GC-MS | Nicotinic acid, non-derivatized, GC-MS Spectrum | splash10-0kmi-7900000000-9e4efda763cce5ddfe57 | Spectrum | | GC-MS | Nicotinic acid, non-derivatized, GC-MS Spectrum | splash10-053i-0900000000-5daf0093df6c21c7279f | Spectrum | | GC-MS | Nicotinic acid, non-derivatized, GC-MS Spectrum | splash10-053i-0900000000-f38b6609b45de8c74565 | Spectrum | | GC-MS | Nicotinic acid, non-derivatized, GC-MS Spectrum | splash10-0540-0900000000-4f55c81a6cd42f1b961d | Spectrum | | GC-MS | Nicotinic acid, non-derivatized, GC-MS Spectrum | splash10-057r-5900000000-00bf3662b5b9db533c0a | Spectrum | | GC-MS | Nicotinic acid, non-derivatized, GC-MS Spectrum | splash10-0569-2900000000-7820ea736b03b71d2cb8 | Spectrum | | GC-MS | Nicotinic acid, non-derivatized, GC-MS Spectrum | splash10-0540-0900000000-a701904fe6ded0abd98f | Spectrum | | Predicted GC-MS | Nicotinic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-05i0-9700000000-d7620f1dc8f42d1498b9 | Spectrum | | Predicted GC-MS | Nicotinic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-05fr-9600000000-c3303cf4e83870b3e656 | Spectrum | | Predicted GC-MS | Nicotinic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Nicotinic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-00di-1900000000-27508608b33f1fb9f221 | 2012-07-24 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-003r-9100000000-a2037c9695659dceabd1 | 2012-07-24 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-0ufr-9100000000-4a2649a83ad2a40e5194 | 2012-07-24 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - EI-B (HITACHI M-80) , Positive | splash10-0kmi-7900000000-1bc47d1b1850f54fb7c2 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative | splash10-00di-1900000000-a352c5ce16d4b682b052 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative | splash10-004i-9000000000-ab23ecb032e387b40bd9 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative | splash10-004i-9000000000-02e37a1cfd3947037579 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative | splash10-004i-9000000000-75d7e6658d2d6eca736e | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative | splash10-0udi-9000000000-21a2d68d4f364c596f1d | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive | splash10-0ab9-0900000000-a74db528f61c435876c8 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive | splash10-00di-6900000000-773c08ab92ace4d48a9c | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive | splash10-00aj-9100000000-07b12fbe942e6c7fb12d | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive | splash10-005a-9000000000-66e0a5ba2ca8dbba1ed5 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive | splash10-004i-9000000000-fbf8ba47b56d7cc7be81 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive | splash10-00di-0900000000-eaf82f6ab0befde118e9 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Positive | splash10-00di-0900000000-eaf82f6ab0befde118e9 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative | splash10-004i-9300000000-b1a48f694fba565108a1 | 2012-08-31 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-00di-1900000000-a352c5ce16d4b682b052 | 2017-09-14 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-004i-9000000000-ab23ecb032e387b40bd9 | 2017-09-14 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0900000000-25068c42378f72756922 | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-3900000000-6278a1e122005f48fcaf | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ue9-9000000000-e4e41ed9bef32955889e | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-4900000000-85d44ecd8ad348eeacd1 | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9300000000-4911305982583ae20895 | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-4dea4a2d4a55907605ea | 2016-09-12 | View Spectrum |
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| NMR | | Type | Description | | View |
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| 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 22.53 MHz, DMSO-d6, experimental) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, D2O, experimental) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, D2O, experimental) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | | 2D NMR | [1H, 1H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental) | | Spectrum | | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | | Spectrum |
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| External Links |
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| ChemSpider ID | 913 |
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| ChEMBL ID | CHEMBL573 |
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| KEGG Compound ID | C00253 |
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| Pubchem Compound ID | 938 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 15940 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | DB00627 |
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| HMDB ID | HMDB01488 |
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| CRC / DFC (Dictionary of Food Compounds) ID | BPB04-S:BPB04-S |
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| EAFUS ID | 2661 |
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| Dr. Duke ID | NICOTINIC-ACID|NIACIN |
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| BIGG ID | 34401 |
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| KNApSAcK ID | C00000208 |
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| HET ID | NIO |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Niacin |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | | Descriptor | ID | Definition | Reference |
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| Allergenic | 50904 | A substance that triggers an immune response, causing allergic reactions. Its biological role is to stimulate the immune system, but it has no therapeutic applications. Key medical uses include diagnosing allergies and developing immunotherapies to desensitize patients to specific allergens, reducing the risk of severe reactions. | DUKE | | Anti acrodynic | 50177 | An agent that treats acrodynia (pink disease), a condition caused by mercury poisoning. It plays a biological role in chelating mercury, reducing its toxic effects. Therapeutically, it is used to manage mercury poisoning symptoms, such as pain and inflammation, and has key medical applications in pediatric and environmental medicine. | DUKE | | Anti-allergic | 50857 | An agent that reduces or blocks allergic reactions, commonly used to manage symptoms of allergies, such as itching, sneezing, and inflammation, by inhibiting the release of histamine and other chemical mediators, providing relief in conditions like hay fever, asthma, and skin allergies. | DUKE | | Anti-Alzheimeran | 52217 | An agent that inhibits the progression of Alzheimer's disease, reducing beta-amyloid plaque formation and neuroinflammation. Therapeutically, it improves cognitive function and memory, commonly used in managing mild to moderate Alzheimer's disease and other neurodegenerative disorders. | DUKE | | Anti-amblyopic | 52217 | An agent that improves vision by enhancing visual acuity and reducing amblyopia (lazy eye) symptoms. It promotes healthy visual development, commonly used in pediatric ophthalmology to treat amblyopia, especially during critical periods of visual development. | DUKE | | Anti anginal | 52217 | An agent that reduces angina symptoms by improving blood flow to the heart, commonly used in managing angina pectoris, coronary artery disease, and other cardiovascular conditions, to alleviate chest pain and prevent cardiac complications. | DUKE | | Anti-cataract | 52217 | An agent that prevents or slows the formation of cataracts, reducing oxidative stress and inflammation in the lens of the eye, commonly used to manage age-related cataracts and other ocular disorders. | DUKE | | Anti-chilblain | | A vasodilator that stimulates blood vessel dilation, used to treat chilblains by improving blood flow to affected areas, reducing pain and inflammation, and promoting healing. | DUKE | | Anti convulsant | 52217 | An agent that reduces or prevents seizures, commonly used in managing epilepsy, neuropathic pain, and mood disorders, by stabilizing abnormal electrical activity in the brain. | DUKE | | Anti-Crohn's | 52217 | An agent that reduces inflammation and modulates the immune system, commonly used in managing Crohn's disease and other inflammatory bowel disorders, to alleviate symptoms and induce remission. | DUKE | | Anti-dementia | 52217 | An agent that slows or prevents cognitive decline, reducing symptoms of dementia. It plays a biological role in neuroprotection, enhancing neuronal function and survival. Therapeutically, it is used to manage Alzheimer's disease, vascular dementia, and other neurodegenerative disorders, improving memory, cognition, and daily functioning. | DUKE | | Anti dermatitic | 50177 | An agent that reduces skin inflammation and irritation, commonly used to treat dermatitis, eczema, and other skin disorders, providing relief from itching, redness, and swelling. | DUKE | | Anti-diabetic | 52217 | An agent that regulates blood sugar levels, enhancing insulin sensitivity or secretion. Therapeutically, it's used to manage diabetes, reducing symptoms and complications, and commonly prescribed to treat type 1 and 2 diabetes, as well as gestational diabetes. | DUKE | | Antidote | 50247 | An agent that counteracts a poison or toxin, neutralizing its harmful effects. It plays a biological role in reversing toxicity, and has therapeutic applications in treating poisoning, overdose, and envenomation. Key medical uses include emergency treatment for snake bites, drug overdose, and chemical exposure. | DUKE | | Anti dysphagic | 52217 | An agent that facilitates swallowing, reducing difficulty in eating and drinking. It plays a biological role in regulating esophageal motility and relaxation. Therapeutically, it is used to manage dysphagia, a condition characterized by swallowing disorders, commonly seen in neurological and gastrointestinal diseases, such as stroke, Parkinson's, and esophageal disorders. | DUKE | | Anti epileptic | 52217 | An agent that reduces seizure frequency and severity, commonly used in managing epilepsy, seizure disorders, and neuropathic pain. It stabilizes neuronal membranes, modulates neurotransmitter release, and inhibits abnormal electrical activity in the brain, providing therapeutic relief from convulsions and seizures. | DUKE | | Anti-hangover | 52217 | An agent that alleviates hangover symptoms, such as headaches and nausea, by replenishing essential nutrients and electrolytes, and supporting liver function, commonly used to relieve post-alcohol consumption discomfort. | DUKE | | Anti histaminic | 37956 | An agent that blocks histamine receptors, reducing allergic symptoms. Therapeutically, it alleviates itching, sneezing, and runny nose, commonly used in managing allergies, itching, and hives, as well as treating conditions like anaphylaxis and allergic rhinitis. | DUKE | | Anti-hyperactivity | | An agent that reduces excessive restlessness and impulsivity, commonly used to treat Attention Deficit Hyperactivity Disorder (ADHD), with therapeutic applications in managing symptoms and improving focus, often utilizing stimulants to regulate brain activity. | DUKE | | Anti-insomnic | 52217 | An agent that promotes sleep, reducing insomnia symptoms. It regulates the body's sleep-wake cycle, commonly used in managing sleep disorders, such as insomnia, and improving sleep quality. | DUKE | | Anti-Lyme | 33281 | An agent that targets Borrelia burgdorferi, reducing Lyme disease symptoms. Therapeutically, it's used to treat Lyme disease, preventing long-term complications. Key medical uses include early-stage treatment, reducing infection severity, and managing tick-borne illnesses. | DUKE | | Anti Meniere's | 52217 | An agent that alleviates symptoms of Meniere's disease, a disorder of the inner ear. It helps regulate fluid balance and reduce vertigo, tinnitus, and hearing loss, improving quality of life for affected individuals. | DUKE | | Anti neuralgic | 52217 | An agent that relieves nerve pain, reducing inflammation and discomfort. It plays a biological role in blocking pain pathways, and has therapeutic applications in managing conditions like trigeminal neuralgia, shingles, and diabetic neuropathy. Key medical uses include treating severe nerve pain, numbness, and tingling sensations. | DUKE | | Anti-Parkinsonian | 48407 | An agent that alleviates symptoms of Parkinson's disease, enhancing dopamine levels and improving motor function, commonly used to manage tremors, rigidity, and bradykinesia in neurodegenerative disorders. | DUKE | | Anti-pellagric | 52217 | An agent that prevents or treats pellagra, a disease caused by niacin deficiency. It plays a biological role in maintaining healthy skin, nervous system, and digestive system. Therapeutically, it is used to manage pellagra symptoms, such as dermatitis, diarrhea, and dementia, and is commonly used in managing niacin deficiency and related disorders. | DUKE | | Anti Raynaud's | 52217 | An agent that improves blood flow to extremities, reducing vasospasm and relieving symptoms of Raynaud's disease, commonly used to manage cold-induced digital ulcers, pain, and discoloration in fingers and toes. | DUKE | | Anti-schizophrenic | 52217 | An agent that reduces psychotic symptoms, commonly used in managing schizophrenia and other psychotic disorders, by modulating dopamine and serotonin levels in the brain, thereby alleviating hallucinations, delusions, and disorganized thinking. | DUKE | | Anti-scotomic | 52217 | An agent that reduces or eliminates scotomas (blind spots), commonly used in managing visual field defects, particularly in conditions like glaucoma and macular degeneration, to improve visual function and quality of life. | DUKE | | Anti-spasmodic | 52217 | An agent that relaxes smooth muscle, reducing muscle spasms and cramps. It plays a biological role in regulating muscle tone and is therapeutically applied to treat conditions such as irritable bowel syndrome, menstrual cramps, and muscle spasms, providing relief from abdominal pain and discomfort. | DUKE | | Anti thyrotoxic | 50247 | An agent that reduces thyroid hormone production, commonly used to manage hyperthyroidism, Graves' disease, and thyroid storm, by inhibiting thyroid gland activity and alleviating symptoms such as rapid heart rate and tremors. | DUKE | | Anti vertigo | 52217 | An agent that alleviates vertigo symptoms, commonly used in managing balance disorders, inner ear conditions, and motion sickness, by regulating vestibular function and stabilizing inner ear balance. | DUKE | | Cancer preventive | 35610 | An agent that inhibits the development and progression of cancer, reducing tumor formation and growth. It plays a biological role in blocking carcinogenic pathways, and has therapeutic applications in chemoprevention. Key medical uses include reducing the risk of cancer in high-risk individuals and preventing cancer recurrence. | DUKE | | Cardioprotective | 38070 | An agent that protects the heart from damage, reducing the risk of cardiovascular disease. It plays a biological role in mitigating cardiac stress and injury, with therapeutic applications in preventing heart attacks, strokes, and arrhythmias, and key medical uses in treating hypertension, heart failure, and coronary artery disease. | DUKE | | Choleretic | | An agent that increases bile production and secretion from the liver, enhancing digestion and fat absorption. Therapeutically, it's used to treat gallstones, liver disease, and indigestion, promoting healthy bile flow and liver function. | DUKE | | Circulotonic | | A cardiac stimulant that enhances cardiovascular function, increasing cardiac output and blood pressure. Therapeutically, it's used to treat hypotension, shock, and heart failure, improving circulation and overall cardiovascular health. Key medical uses include managing cardiogenic shock, post-operative hypotension, and severe dehydration. | DUKE | | Fibrinolytic | | An agent that breaks down blood clots, playing a crucial biological role in preventing thrombosis. Therapeutically, it's used to treat conditions like stroke, pulmonary embolism, and myocardial infarction, restoring blood flow and preventing tissue damage. Key medical uses include dissolving clots, improving circulation, and reducing the risk of cardiovascular events. | DUKE | | Hepatoprotective | 62868 | An agent that protects the liver from damage, promoting liver health and function. It plays a biological role in reducing oxidative stress and inflammation, and has therapeutic applications in managing liver diseases, such as hepatitis and cirrhosis, and key medical uses in treating drug-induced liver injury and toxicities. | DUKE | | Hepatotoxic | 50908 | An agent that causes liver damage or toxicity, disrupting normal liver function. It has no therapeutic applications, but is often a side effect of certain medications, such as acetaminophen overdose, and is a key consideration in medical uses, including monitoring liver function during drug therapy. | DUKE | | Hypocholesterolemic | | An agent that lowers cholesterol levels in the blood, playing a crucial role in preventing cardiovascular disease. Therapeutically, it is used to manage hyperlipidemia and reduce the risk of heart disease, with key medical applications including the treatment of high cholesterol, atherosclerosis, and coronary artery disease. | DUKE | | Hypoglycemic | 35526 | An agent that lowers blood glucose levels, playing a crucial role in glucose metabolism. Therapeutically, it is used to manage diabetes and insulin resistance, with key medical applications in treating type 1 and 2 diabetes, and preventing diabetic complications. | DUKE | | Hypolipidemic | | An agent that lowers lipid levels, treating hyperlipidemias by reducing cholesterol and triglyceride production, with therapeutic applications in managing cardiovascular disease, atherosclerosis, and stroke, commonly used to prevent heart attacks and improve overall cardiovascular health. | DUKE | | Insulinase inhibitor | 23924 | An agent that blocks the activity of insulinase, an enzyme that breaks down insulin, thereby increasing insulin levels and activity. It has therapeutic applications in managing diabetes and improving glucose metabolism, with key medical uses in treating type 1 and 2 diabetes. | DUKE | | Insulinotonic | | An agent that enhances insulin secretion, improving glucose uptake and utilization. It plays a biological role in regulating blood sugar levels. Therapeutically, insulinotonic agents are used to manage type 2 diabetes, increasing insulin sensitivity and reducing glucose production in the liver, thereby lowering blood glucose levels. | DUKE | | Lipolytic | | An agent that stimulates hydrolysis of fats into fatty acids and glycerol, playing a key biological role in fat metabolism. Therapeutically, lipolytics have applications in managing obesity and hypertriglyceridemia, with medical uses including weight loss and improving lipid profiles. | DUKE | | Sedative | 35717 | An agent that calms nervous activity, reducing anxiety and inducing relaxation. Its biological role is to slow down brain function, promoting sleep and relieving stress. Therapeutically, sedatives are used to manage insomnia, anxiety disorders, and seizures, as well as to prepare patients for medical procedures. | DUKE | | Serotoninergic | 48278 | An agent that modulates serotonin activity, regulating mood, appetite, and sleep. It has therapeutic applications in treating depression, anxiety, and mood disorders, with key medical uses including antidepressants, anxiolytics, and anti-migraine medications. | DUKE | | Vasodilator | 35620 | An agent that widens blood vessels, reducing blood pressure and increasing blood flow. It plays a biological role in regulating cardiovascular function. Therapeutically, vasodilators are used to treat conditions such as hypertension, angina, and heart failure, improving oxygen delivery and reducing cardiac workload. | DUKE |
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| Enzymes | | Name | Gene Name | UniProt ID |
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| G-protein coupled receptor 109B | GPR109B | P49019 | | G-protein coupled receptor 109A | GPR109A | Q8TDS4 | | Purine nucleoside phosphorylase | PNP | P00491 |
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| Pathways | |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | show |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).
— U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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