FComEx: Catechin (PC000717)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:11 UTC

Update date

2017-01-19 02:36:33 UTC

FoodComEx ID

PC000717

FoodDB Record

FDB002571

Chemical Information

Name

Catechin

Description

Present in red wine. Widespread in plants; found in a variety of foodstuffs especies apricots, broad beans, cherries, chocolate, grapes, nectarines, red wine, rhubarb, strawberries and tea (+)-Catechin or Catechin is one of the 4 catechin diastereoisomers.

CAS Number

154-23-4

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(+)-(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

Chemical Formula

C15H14O6

IUPAC name

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

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-DZGCQCFKSA-N

Isomeric SMILES

O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1

Average Molecular Weight

290.2681

Monoisotopic Molecular Weight

290.07903818

Chemical Taxonomy

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