Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CC=CC=C1)N1COC2=C(C1)C1=C(C=C2)C(=O)C(=CO1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=FHCRQODMHWRHAH-UHFFFAOYSA-N

Formula

C27H22ClNO5

Mass

475.93

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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

Phenylalanine or derivatives - Isoflavone - Alpha-amino acid ester - Chromone - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzoxazine - 1-benzopyran - Benzopyran - Chlorobenzene - Fatty acid ester - Halobenzene - Pyranone - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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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