Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:13:14 UTC |
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Update date | 2019-11-26 03:15:02 UTC |
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Primary ID | FDB017675 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Nb-cis-p-Coumaroylserotonin |
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Description | N6-cis-p-Coumaroylserotonin, also known as p-C-serotonin, belongs to the class of organic compounds known as n-acylserotonins. These are aromatic heterocyclic compounds containing a serotonin, in which the amine group is acylated. N6-cis-p-Coumaroylserotonin has been detected, but not quantified in, root vegetables. This could make N6-cis-p-coumaroylserotonin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on N6-cis-p-Coumaroylserotonin. |
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CAS Number | Not Available |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C19H18N2O3 |
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IUPAC name | (2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide |
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InChI Identifier | InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+ |
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InChI Key | WLZPAFGVOWCVMG-FPYGCLRLSA-N |
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Isomeric SMILES | OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)C=C1 |
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Average Molecular Weight | 322.3578 |
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Monoisotopic Molecular Weight | 322.131742452 |
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Classification |
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Description | Belongs to the class of organic compounds known as n-acylserotonins. These are aromatic heterocyclic compounds containing a serotonin, in which the amine group is acylated. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Indoles and derivatives |
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Sub Class | Tryptamines and derivatives |
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Direct Parent | N-acylserotonins |
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Alternative Parents | |
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Substituents | - N-acylserotonin
- Cinnamic acid amide
- Cinnamic acid or derivatives
- Coumaric acid or derivatives
- Hydroxycinnamic acid or derivatives
- Hydroxyindole
- 3-alkylindole
- Indole
- Styrene
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Substituted pyrrole
- Heteroaromatic compound
- Pyrrole
- Carboxamide group
- Secondary carboxylic acid amide
- Azacycle
- Carboxylic acid derivative
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Organooxygen compound
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Role | Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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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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Predicted GC-MS | Nb-cis-p-Coumaroylserotonin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00kb-0910000000-037a97844777dd79abce | Spectrum | Predicted GC-MS | Nb-cis-p-Coumaroylserotonin, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0udi-3394800000-8991661558a8e8fa285b | Spectrum | Predicted GC-MS | Nb-cis-p-Coumaroylserotonin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Nb-cis-p-Coumaroylserotonin, 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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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00b9-0903000000-84fe2e000fe834419c63 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-056r-0900000000-7309c1f71fe3d9227583 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06r2-1900000000-3fe2b7a2aa846d1498e8 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0309000000-f5fabf8a91db547434c3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-022a-0914000000-6ea027e67f01db5ef161 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-6900000000-bce88a8597408f7f0174 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0409000000-b5e695c1496bbd99453c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03fr-0902000000-36f1391fa39443f83654 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-1900000000-9278907f3a5d0f6f9139 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0009000000-0a90bce16d9084968bc3 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00xr-1926000000-dc21115b4587fbbf850a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-8920000000-c9f2042f64c8cc4b18eb | 2021-09-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | HDV23-B:KYV93-U |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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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 | Not Available |
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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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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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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 | Not Available |
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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 | |
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