Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C(NC(=O)C2=CC=CC(=C2)C2=CC3=CC=CC=C3OC2=O)SC2=C1CCCC2

InChIKey

InChIKey=HEWOMNSZWFZGNU-UHFFFAOYSA-N

Formula

C25H20N2O4S

Mass

444.51

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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 carboxamide - Thiophene carboxylic acid or derivatives - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Primary carboxylic acid amide - Lactone - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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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