Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C(OC)C=C1C1=COC2=C(C=CC(O)=C2)C1=O

InChIKey

InChIKey=IXZYJZHCXHSCDY-UHFFFAOYSA-N

Formula

C18H16O6

Mass

328.32

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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

4'-O-methylisoflavones

Alternative Parents

3'-O-methylisoflavones Isoflavones Hydroxyisoflavonoids Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3p-methoxyisoflavone - 4p-o-methylisoflavone - Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.

External Descriptors

CHEBI:80369 : hydroxyisoflavone - methoxyisoflavone
LIPIDMAPS (LMPK12050089) : Isoflavonoids
KEGG (C16188) : isoflavones - Isoflavonoids
META CYC (CPD-9532) : an isoflavone

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