Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)C2=C(O1)C=C(OCC1=CC(Cl)=CC=C1)C=C2)C1=CC=C(Br)C=C1

InChIKey

InChIKey=KDTLROBIYTUHNY-UHFFFAOYSA-N

Formula

C23H16BrClO3

Mass

455.73

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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

Isoflavone - Chromone - Benzopyran - 1-benzopyran - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Pyranone - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organooxygen 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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