Structure Information
Structure

Compound Identification

SMILES

CCCCC1=CC2=C(C=C1)N=C(NC(=O)C1=CC=C(C=C1)C1=CC3=CC=CC=C3OC1=O)S2

InChIKey

InChIKey=ABUZPOUFAYHPGF-UHFFFAOYSA-N

Formula

C27H22N2O3S

Mass

454.54

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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 - 1,3-benzothiazole - Benzoyl - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen 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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