Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:12 UTC |
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Update date | 2019-11-26 03:09:50 UTC |
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Primary ID | FDB014315 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (R)-ar-Turmerone |
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Description | (R)-ar-Turmerone, also known as aromatic turmerone or turmerone (-ar), belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review a significant number of articles have been published on (R)-ar-Turmerone. |
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CAS Number | 532-65-0 |
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Structure | |
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Synonyms | Synonym | Source |
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Ar-turmerone | HMDB | (+)-Ar-turmerone | HMDB | (S)-Ar-turmerone | HMDB | 2-Methyl-6-(4-methylphenyl)-(S)-2-hepten-4-one | HMDB | Ar-tumerone | HMDB | Aromatic turmerone | HMDB | Turmerone (-ar) | HMDB | (+)-ar-Turmerone | biospider | (S)-ar-Turmerone | biospider | 2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (S)- | biospider | ar-Tumerone | biospider |
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Predicted Properties | |
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Chemical Formula | C15H20O |
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IUPAC name | 2-methyl-6-(4-methylphenyl)hept-2-en-4-one |
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InChI Identifier | InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3 |
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InChI Key | NAAJVHHFAXWBOK-UHFFFAOYSA-N |
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Isomeric SMILES | CC(CC(=O)C=C(C)C)C1=CC=C(C)C=C1 |
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Average Molecular Weight | 216.3187 |
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Monoisotopic Molecular Weight | 216.151415262 |
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Classification |
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Description | Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Sesquiterpenoid
- Bisabolane sesquiterpenoid
- P-cymene
- Toluene
- Monocyclic benzene moiety
- Benzenoid
- Acryloyl-group
- Enone
- Alpha,beta-unsaturated ketone
- Ketone
- Carbonyl group
- Organic oxide
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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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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 | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 83.29%; H 9.32%; O 7.40% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Bp10 159-160° | DFC |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | [a]20D +82.21 | DFC |
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Spectroscopic UV Data | [neutral] lmax 275 (e 15700) (MeOH) (Berdy) | DFC |
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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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Predicted GC-MS | (R)-ar-Turmerone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0159-9810000000-c0885c2b134de3ab1125 | Spectrum | Predicted GC-MS | (R)-ar-Turmerone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | (R)-ar-Turmerone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | (R)-ar-Turmerone, 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 | splash10-014i-1490000000-2fe242a796b7a7187152 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00lr-5920000000-28eeca63c9b587244a1e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0159-8900000000-6986264f58c45358cdbe | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-1190000000-2baf460e18e48928abdc | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-066r-9470000000-c503dfca01893475837a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a59-9400000000-080fc79ddc6733982f7b | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0090000000-93c59166c81b3b7c46b8 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00lr-3930000000-12b14a9bc47bd0e30483 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014l-9410000000-b0ecb28151e386e8aea0 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-4900000000-23ffaf444cc756dcb20b | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05mo-9700000000-0d36afc9ac79916aac6d | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9200000000-3d68f5198d7a63c33475 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 485257 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 558221 |
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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 | HMDB35612 |
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CRC / DFC (Dictionary of Food Compounds) ID | JPN57-C:JPN58-D |
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EAFUS ID | Not Available |
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Dr. Duke ID | AR-TURMERONE|(+)-AR-TURMERONE |
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BIGG ID | Not Available |
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KNApSAcK ID | C00011625 |
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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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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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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-cancer | 35610 | An agent that inhibits the growth and proliferation of cancer cells, used to treat and manage various types of cancer, including chemotherapy, targeted therapy, and immunotherapy, to reduce tumor size, prevent metastasis, and improve patient survival. | DUKE | Anti-hemorrhagic | 50248 | An agent that stops or prevents bleeding, promoting blood clotting and tissue repair. It plays a biological role in maintaining vascular integrity and is therapeutically used to treat bleeding disorders, injuries, and surgical wounds, with key medical applications in trauma care, surgery, and hemophilia management. | DUKE | Anti-inflammatory | 35472 | An agent that reduces inflammation, playing a biological role in suppressing immune responses and therapeutic applications in managing pain, swelling, and redness. Key medical uses include treating arthritis, allergies, and autoimmune disorders, as well as relieving symptoms of conditions such as asthma and dermatitis. | DUKE | Anti-lymphocytic | | An antibody that targets T cells, used to prevent rejection in organ transplantation and treat autoimmune diseases by suppressing the immune system. | DUKE | Anti NKC | | An agent that binds to natural killer cells, modulating their activity. It plays a biological role in regulating immune responses. Therapeutically, anti NKC is used to manage immune-related disorders, with key medical applications in cancer, autoimmune diseases, and transplant rejection. | DUKE | Anti ophidic | | An antivenom agent used to treat venomous bites or stings, created by milking and diluting venom from relevant species, and injected to neutralize toxins, reducing inflammation and preventing systemic complications. | DUKE | Anti proliferant | | An agent that prevents or inhibits cell growth and division, used therapeutically to treat cancer, manage tumor growth, and prevent restenosis after angioplasty, reducing abnormal cell proliferation. | DUKE | Antitumor | 35610 | An agent that inhibits tumor growth and proliferation, playing a crucial role in cancer treatment. Therapeutically, antitumors are used to manage various types of cancer, including chemotherapy, targeted therapy, and immunotherapy, helping to reduce tumor size, prevent metastasis, and improve patient outcomes. | DUKE | Cyclooxygenase-2 inhibitor | 50629 | An agent that blocks the activity of cyclooxygenase-2 (COX-2), reducing inflammation and pain. Therapeutically, it is used to manage conditions such as arthritis, menstrual cramps, and other inflammatory disorders, providing relief from symptoms with reduced gastrointestinal side effects compared to non-selective NSAIDs. | DUKE | iNOS inhibitor | 23924 | An agent that blocks the activity of inducible nitric oxide synthase (iNOS), reducing excessive nitric oxide production. It has therapeutic applications in managing inflammatory and neurodegenerative disorders, with key medical uses in treating conditions such as sepsis, arthritis, and stroke. | DUKE | Insectifuge | 24852 | A substance that repels insects, playing a biological role in plant defense. Therapeutically, it has applications in preventing insect-borne diseases. Key medical uses include topical repellents for malaria, dengue fever, and other vector-borne illnesses, reducing the risk of transmission. | DUKE | Pesticide | 25944 | An agent that kills or repels pests, playing a biological role in controlling insect, weed, and fungal populations. Therapeutically, pesticides have limited applications, but some are used to treat ectoparasitic infestations, such as lice and scabies. Key medical uses include topical treatments for head lice and scabies, highlighting their role in managing parasitic infections. | DUKE |
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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 | — 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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