Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=O)C=CC2=CC(Cl)=CC(Cl)=C2OC)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=NQBLOHDAAUIHGO-UHFFFAOYSA-N

Formula

C26H19Cl2NO5

Mass

496.34

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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 - Cinnamic acid amide - Cinnamic acid or derivatives - Coumaric acid or derivatives - Coumarin - Benzopyran - 1-benzopyran - Anilide - Methoxyaniline - Anisole - Methoxybenzene - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - N-arylamide - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen 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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