Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=S)NC(=O)C=CC2=C(Cl)C=C(Cl)C=C2)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=PPVWADCNPQPAEV-UHFFFAOYSA-N

Formula

C26H18Cl2N2O4S

Mass

525.4

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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 - Cinnamic acid or derivatives - Coumarin - N-phenylthiourea - 1-benzopyran - Benzopyran - Methoxyaniline - Phenoxy compound - Methoxybenzene - 1,3-dichlorobenzene - Anisole - Phenol ether - Styrene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Pyranone - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyran - Heteroaromatic compound - Lactone - Thiourea - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - 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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