Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC(=C1)C1=NC2=C(O1)C=CC(NC(=O)C1=CC=C(C=C1)C1=CC3=CC=CC=C3OC1=O)=C2

InChIKey

InChIKey=DNMJCWNQWJIHGN-UHFFFAOYSA-N

Formula

C29H17BrN2O4

Mass

537.369

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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 - Phenyl-1,3-oxazole - 1-benzopyran - Benzopyran - Benzamide - Benzoxazole - Benzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Pyranone - Pyran - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organopnictogen compound - Organohalogen 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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