Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(O)=C(C=C1)[C@@]1(O)COC2=C(C=CC(O)=C2)C1=O

InChIKey

InChIKey=JSCRWCUDZWUUSS-INIZCTEOSA-N

Formula

C16H14O7

Mass

318.281

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

O-methylated isoflavonoids

Intermediate Tree Nodes

4'-O-methylated isoflavonoids

Direct Parent

3'-hydroxy,4'-methoxyisoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3'-hydroxy,4'-methoxyisoflavonoid - Isoflavanol - Isoflavanone - Hydroxyisoflavonoid - Isoflavan - Chromone - Chromane - Benzopyran - Methoxyphenol - 1-benzopyran - Anisole - Phenoxy compound - Catechol - Phenol ether - Methoxybenzene - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Acyloin - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone.

External Descriptors

Not available

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