Epicatechin (FDB002576)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation date | 2010-04-08 22:05:26 UTC | ||||||||
| Update date | 2019-08-01 18:41:12 UTC | ||||||||
| Primary ID | FDB002576 | ||||||||
| Secondary Accession Numbers | Not Available | ||||||||
| Chemical Information | |||||||||
| FooDB Name | Epicatechin | ||||||||
| Description | (+)-Epicatechin, also known as ent-epicatechin, belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol (+)-Epicatechin is found, on average, in the highest concentration within pears (Pyrus communis) (+)-Epicatechin has also been detected, but not quantified in, several different foods, such as star fruits (Averrhoa carambola), red tea, common buckwheats (Fagopyrum esculentum), apples (Malus pumila), and asian pears (Pyrus pyrifolia). This could make (+)-epicatechin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on (+)-Epicatechin. | ||||||||
| CAS Number | 490-46-0 | ||||||||
| Structure |  | ||||||||
| Synonyms | |||||||||
| Predicted Properties | Not Available | ||||||||
| Chemical Formula | C15H14O6 | ||||||||
| IUPAC name | |||||||||
| InChI Identifier | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 | ||||||||
| InChI Key | PFTAWBLQPZVEMU-ZFWWWQNUSA-N | ||||||||
| Isomeric SMILES | O[C@H]1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2O | ||||||||
| Average Molecular Weight | 290.2681 | ||||||||
| Monoisotopic Molecular Weight | 290.07903818 | ||||||||
| Classification | |||||||||
| Description | Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Phenylpropanoids and polyketides | ||||||||
| Class | Flavonoids | ||||||||
| Sub Class | Flavans | ||||||||
| Direct Parent | Catechins | ||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||
| External Descriptors |
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| Ontology | |||||||||
| Ontology | No ontology term | ||||||||
| Physico-Chemical Properties | |||||||||
| Physico-Chemical Properties - Experimental | |||||||||
| Spectra | |||||||||
| Spectra | |||||||||
| EI-MS/GC-MS | Not Available | ||||||||
| MS/MS | Not Available | ||||||||
| NMR | Not Available | ||||||||
| External Links | |||||||||
| ChemSpider ID | 65230 | ||||||||
| ChEMBL ID | CHEMBL583912 | ||||||||
| KEGG Compound ID | C09727 | ||||||||
| Pubchem Compound ID | 72276 | ||||||||
| Pubchem Substance ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| Phenol-Explorer ID | 125 | ||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | HMDB01871 | ||||||||
| CRC / DFC (Dictionary of Food Compounds) ID | CML31-M:CML46-U | ||||||||
| EAFUS ID | Not Available | ||||||||
| Dr. Duke ID | EPICATECHOL|L-EPICATECHIN|(-)-EPICATECHIN|(-)-EPICATECHOL|EPICATECHIN | ||||||||
| BIGG ID | Not Available | ||||||||
| KNApSAcK ID | C00000956 | ||||||||
| HET ID | Not Available | ||||||||
| Food Biomarker Ontology | Not Available | ||||||||
| VMH ID | Not Available | ||||||||
| Flavornet ID | Not Available | ||||||||
| GoodScent ID | Not Available | ||||||||
| SuperScent ID | Not Available | ||||||||
| Wikipedia ID | Catechin | ||||||||
| Phenol-Explorer Metabolite ID | 125 | ||||||||
| Duplicate IDS | Not Available | ||||||||
| Old DFC IDS | Not Available | ||||||||
| Associated Foods | |||||||||
Processing... | |||||||||
| Biological Effects and Interactions | |||||||||
| Health Effects / Bioactivities | |||||||||
| Enzymes | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Biosynthesis | Not Available | ||||||||
| Organoleptic Properties | |||||||||
| Flavours | |||||||||
| Files | |||||||||
| MSDS | show | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| General Reference | Not Available | ||||||||
| Content Reference | — Rothwell JA, Pérez-Jiménez J, Neveu V, Medina-Ramon A, M'Hiri N, Garcia Lobato P, Manach C, Knox K, Eisner R, Wishart D, Scalbert A. (2013) Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content. Database, 10.1093/database/bat070. — 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. | ||||||||