Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)OC2=C(Cl)C=C(Br)C=C12)C1=CC=CC=C1Cl

InChIKey

InChIKey=JXAJWEQRZOZUGT-UHFFFAOYSA-N

Formula

C16H9BrCl2O2

Mass

384.05

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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

Coumarins and derivatives 1-benzopyrans Pyranones and derivatives Chlorobenzenes Aryl chlorides Aryl bromides Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Chlorobenzene - Halobenzene - Pyranone - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organochloride - Organooxygen compound - Organic oxygen 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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