Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C1=CC=CC=C1

InChIKey

InChIKey=DIVALQQWHUBNJU-UHFFFAOYSA-N

Formula

C23H16O5

Mass

372.376

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflav-3-enones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - Coumarin - O-methoxybenzoic acid or derivatives - Benzopyran - Phenol ester - 1-benzopyran - Benzoate ester - Benzoic acid or derivatives - Phenol ether - Anisole - Benzoyl - Phenoxy compound - Methoxybenzene - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.

External Descriptors

Not available

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