Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(OC)=C2OC[C@@H]([C@@H](O)C2=C1)C1=CC(O)=C(OC)C(OC)=C1O

InChIKey

InChIKey=NBOVJURIMDHEEI-RISCZKNCSA-N

Formula

C20H24O9

Mass

408.403

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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 - 3p-methoxyisoflavonoid-skeleton - 6-methoxyisoflavonoid-skeleton - 7-methoxyisoflavonoid-skeleton - 8-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - Isoflavanol - Isoflavan - Ubiquinol skeleton - Chromane - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Hydroquinone - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - 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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