Structure Information
Structure

Compound Identification

SMILES

O=C(NC1=NC(=CS1)C1=CC2=CC=CC=C2C=C1)C1=CC=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=STCFHJNGMWAZQG-UHFFFAOYSA-N

Formula

C29H18N2O3S

Mass

474.53

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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 - Naphthalene - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - 2,4-disubstituted 1,3-thiazole - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen 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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