| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-10 11:15:30 UTC |
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| Update date | 2018-04-16 14:37:15 UTC |
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| FoodComEx ID | PC001062 |
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| FoodDB Record | FDB002571 |
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| Chemical Information |
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| Name | Catechin |
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| Description | Flavan-3-ol present in a variety of foodstuffs esp. apricots, broad beans, cherries, chocolate, grapes, nectarines, red wine, rhubarb, strawberries and tea |
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| CAS Number | 154-23-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol | biospider | | (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol | biospider | | (+)-Catechin | biospider | | (+)-Catechin hydrate | HMDB | | (+)-Catechol | biospider | | (+)-Cianidanol | biospider | | (+)-Cyanidan-3-ol | biospider | | (+)-Cyanidanol | biospider | | (+/-)-catechin | HMDB | | (+/-)-catechin hydrate | HMDB | | (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | ChEBI | | (2R,3S)-(+)-Catechin | biospider | | (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol | biospider | | (2R,3S)-3,3',4',5,7-Flavanpentol | biospider | | (2R,3S)-Catechin | biospider | | 3,3',4',5,7-Flavanpentol | HMDB | | 3,3',4',5,7-Pentahydroxyflavan; (+)-trans-form | db_source | | Biocatechin | db_source | | Catechin | biospider | | Catechinate | HMDB | | Catechinic acid | HMDB | | Catechol (8CI) | manual | | Catechuate | biospider | | Catechuic acid | db_source | | Catergen | db_source | | Cianidanol | biospider | | Cianidanolum | HMDB | | Cianidol | db_source | | Cyanidanol | biospider | | Cyanidol | db_source | | D-(+)-Catechin | biospider | | D-Catechin | biospider | | D-Catechol | biospider | | Dexcyanidanol | db_source | | Drenoliver | db_source | | trans-(+)-3,3',4',5,7-Flavanpentol | biospider | | trans3,3,4,5,7 Pentahydroxyflavane | HMDB | | YK-85 light yellow powder 85 | HMDB |
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| Chemical Formula | C15H14O6 |
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| IUPAC name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
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| 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 |
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| InChI Key | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
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| Isomeric SMILES | O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1 |
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| Average Molecular Weight | 290.2681 |
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| Monoisotopic Molecular Weight | 290.07903818 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Flavan-3-ols |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 0.51 | PERRISSOUD,D & TESTA,B (1986) |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Mp 175-177° (anhyd.) | DFC |
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| Foods of Origin |
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| Cocoa, apple, tea, red wine, almond, broad beans, stone fruits... |
| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | 1 to 5 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | RT |
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| Stability | Not Available |
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| Purity | >98% |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
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| Commercial Vendors |
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| AKSci | 6282AF |
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| Cayman Chemical | HMDB0002780 |
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| MetaSci | HMDB0002780 |
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| Toronto Research Chemicals | C217500 |
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