Structure Information
Structure

Compound Identification

SMILES

CC(C)C([NH3+])C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCCO2)C=C1

InChIKey

InChIKey=LUHKJMLOEDACJL-UHFFFAOYSA-O

Formula

C22H22NO6

Mass

396.418

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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 - Valine or derivatives - Chromone - Benzopyran - Phenol ester - Benzodioxane - 1-benzopyran - Benzo-1,4-dioxane - Alpha-amino acid or derivatives - Alkyl aryl ether - Pyranone - Fatty acid ester - Para-dioxin - Pyran - Benzenoid - Fatty acyl - Quaternary ammonium salt - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - 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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