Structure Information
Structure

Compound Identification

SMILES

ClC1=C(C=CC(NC(=S)NC(=O)C2=CC=C(Br)C=C2)=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=GMHFXUYFFKBIAG-UHFFFAOYSA-N

Formula

C23H14BrClN2O3S

Mass

513.79

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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 - N-acyl-phenylthiourea - Coumarin - N-phenylthiourea - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Benzoyl - Pyranone - Bromobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl bromide - Pyran - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Thiourea - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organobromide - Organohalogen 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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