FComEx: Glycitein (PC001194)

Record Information

Version

1.0

Creation date

2018-05-02 12:30:15 UTC

Update date

2018-05-04 14:23:04 UTC

FoodComEx ID

PC001194

FoodDB Record

FDB000698

Chemical Information

Name

Glycitein

Description

Isoflavone present in soya foods (inc. tofu, miso); potential nutriceutical [DFC]. Glycitein is a biomarker for the consumption of soy beans and other soy products. Glycitein is found in many foods, some of which are miso, soy bean, soy milk, and soy sauce.

CAS Number

40957-83-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
4-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-7-one	biospider
4,7-Dihydroxy-6-methoxyisoflavone	biospider
4',7-Dihydroxy-6-methoxyisoflavone	db_source
6-Methoxydaidzein	manual
7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	ChEBI
7,4'-Dihydroxy-6-methoxyisoflavone	biospider
Glycitein	db_source

Chemical Formula

C16H12O5

IUPAC name

7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one

InChI Identifier

InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

InChI Key

DXYUAIFZCFRPTH-UHFFFAOYSA-N

Isomeric SMILES

COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1

Average Molecular Weight

284.267

Monoisotopic Molecular Weight

284.068473486

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflav-2-enes

Direct Parent

Isoflavones

Alternative Parents