Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)C(C#N)=C(NC(=O)C2=CC=C(C=C2)C2=CC3=CC=CC=C3OC2=O)S1

InChIKey

InChIKey=QHXPYJQCQHBMFZ-UHFFFAOYSA-N

Formula

C24H16N2O5S

Mass

444.46

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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 - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Thiophene carboxylic acid or derivatives - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Methyl ester - Thiophene - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Organopnictogen 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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