Structure Information
Structure

Compound Identification

SMILES

C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=JCIZBDXGBYAYFI-INIZCTEOSA-N

Formula

C26H20ClNO6

Mass

477.9

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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 - Alanine or derivatives - Chromone - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzopyran - Phenol ester - 1-benzopyran - Chlorobenzene - Halobenzene - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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