Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(CC=C(C)C)=C2OC3=C(C2=C1)C(=O)C1=C(O)C=C(O)C=C1O3

InChIKey

InChIKey=KOHGMAFQELVQRG-UHFFFAOYSA-N

Formula

C21H18O7

Mass

382.368

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Coumaronochromene - Coumarin - Chromone - 1-benzopyran - Benzopyran - Furopyran - Benzofuran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Pyran - Vinylogous acid - Furan - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound 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.

External Descriptors

LIPIDMAPS (LMPK12160003) : Other Flavonoids

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