Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=HVQDUINCMIULBV-UHFFFAOYSA-N

Formula

C23H14ClIN2O3S

Mass

560.79

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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 - 1-benzopyran - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzopyran - Benzoic acid or derivatives - Benzoyl - Pyranone - Iodobenzene - Halobenzene - Fatty acid ester - Dihydropyranone - Chlorobenzene - Fatty acyl - Benzenoid - Pyran - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Lactone - Carboxylic acid ester - Oxacycle - Iodoalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - 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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