FComEx: Gallocatechin (PC001141)

Record Information

Version

1.0

Creation date

2018-05-02 10:15:29 UTC

Update date

2018-05-04 14:28:54 UTC

FoodComEx ID

PC001141

FoodDB Record

FDB017705

Chemical Information

Name

Gallocatechin

Description

Widespread in plants; found especies in green tea, redcurrants, gooseberries and marrowfat peas. Potential nutriceutical. Gallocatechin is found in many foods, some of which are broad bean, broccoli, quince, and common grape.

CAS Number

970-73-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(+)-Gallocatechin	db_source
(+)-Gallocatechol	biospider
(+)-trans-3,3',4',5,5',7-Hexahydroxyflavan	HMDB
(2R,3S)-(+)-Gallocatechin	ChEBI
(2R,3S)-Flavan-3,3',4',5,5',7-hexol	ChEBI
(2R,3S)-Flavan-3,5,7,3',4',5'-hexol	ChEBI
(2R,3S)-Gallocatechin	ChEBI
3,3',4',5,5',7-Hexahydroxyflavan; (+)-trans-form	db_source
Casuarin	db_source
D-Gallocatechin	manual
Gallocatechin	db_source
Gallocatechol	db_source

Chemical Formula

C15H14O7

IUPAC name

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

InChI Identifier

InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1

InChI Key

XMOCLSLCDHWDHP-SWLSCSKDSA-N

Isomeric SMILES

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

Average Molecular Weight

306.27

Monoisotopic Molecular Weight

306.073952791

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Epigallocatechins

Alternative Parents