Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC=C1NC(=O)C1=CC=C(C=C1)C1=CC2=CC=CC=C2OC1=O)C1=NC2=CC=CC=C2S1

InChIKey

InChIKey=HCOSIACEFLDHQZ-UHFFFAOYSA-N

Formula

C30H20N2O3S

Mass

488.56

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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 - Benzanilide - Aromatic anilide - Coumarin - 1-benzopyran - Benzopyran - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Toluene - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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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