Structure Information
Structure

Compound Identification

SMILES

CC1=CC(OCC(=O)NC2=CC(Cl)=C(C=C2)C2=CC3=CC=CC=C3OC2=O)=CC(C)=C1Cl

InChIKey

InChIKey=ILKGTTDRDGLEEJ-UHFFFAOYSA-N

Formula

C25H19Cl2NO4

Mass

468.33

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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 - Coumarin - Benzopyran - 1-benzopyran - Anilide - Phenoxy compound - Phenol ether - M-xylene - Xylene - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Pyran - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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