FComEx: Epicatechin (PC000513)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:06 UTC

Update date

2017-01-19 02:36:26 UTC

FoodComEx ID

PC000513

FoodDB Record

Not Available

Chemical Information

Name

Epicatechin

Description

Widespread flavanol found in a variety of foodstuffs especies apples, apricots, blackberries, broad beans, cherries, chocolate, grapes, raspberries, red wine, strawberries and tea (-)-Epicatechin or Epicatechin is one of the 4 catechin diastereoisomers.

CAS Number

490-46-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol	biospider
(-)-cis-3,3',4',5,7-Pentahydroxyflavane	biospider
(-)-Epicatechin	manual
(-)-Epicatechol	biospider
(2R,3R)-(-)-Epicatechin	biospider
2,3-cis-Epicatechin	biospider
3,3',4',5,7-Pentahydroxyflavan; (-)-cis-form	db_source
3,3',4',5,7-Pentahydroxyflavane	HMDB
alpha-Catechin	HMDB
Colatein	db_source
Epicatechin	db_source
Epicatechol	db_source
Kakaol	db_source
L-Acacatechin	manual
L-Epicatechin	biospider
L-Epicatechol	biospider
L(-)-Epicatechin	HMDB

Chemical Formula

Not Available

IUPAC name

Not Available

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

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