Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C=C(C=C1)C(=O)NC1=CC(Cl)=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=PXVPIESQMMMNAZ-UHFFFAOYSA-N

Formula

C23H15BrClNO4

Mass

484.73

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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 - Benzanilide - Aromatic anilide - Coumarin - Benzopyran - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Anisole - Phenol ether - Methoxybenzene - Pyranone - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Aryl chloride - Pyran - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Organopnictogen compound - 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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