Structure Information
Structure

Compound Identification

SMILES

ClC1=CC(Br)=C\C(=C\NC2=CC=CC(=C2)C2=CC3=CC=CC=C3OC2=O)C1=O

InChIKey

InChIKey=HMWYFVDBVRWGNS-QINSGFPZSA-N

Formula

C22H13BrClNO3

Mass

454.7

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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 - 1-benzopyran - Benzopyran - Quinomethane - Aniline or substituted anilines - O-quinomethane - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Alpha-haloketone - Alpha-chloroketone - Lactone - Cyclic ketone - Ketone - Enamine - Allylamine - Oxacycle - Chloroalkene - Bromoalkene - Haloalkene - Secondary amine - Vinyl bromide - Vinyl chloride - Vinyl halide - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aldehyde - Organic oxide - Amine - Hydrocarbon derivative - 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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