Structure Information
Structure

Compound Identification

SMILES

O=C(OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCCO2)C=C1)C1CCC[NH2+]1

InChIKey

InChIKey=WFKSMWKUOXZQNM-UHFFFAOYSA-O

Formula

C22H20NO6

Mass

394.402

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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 - Alpha-amino acid ester - Proline or derivatives - Chromone - Alpha-amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Pyranone - Para-dioxin - Pyran - Benzenoid - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Ether - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic cation - 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

Not available

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