Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C(NC(=O)C2=CC=CC(=C2)C2=CC3=CC=CC=C3OC2=O)C=C1

InChIKey

InChIKey=JXFHNTAWSQKJNW-UHFFFAOYSA-N

Formula

C33H26ClN3O4

Mass

564.04

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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 - N-arylpiperazine - Phenylpiperazine - Coumarin - Benzopyran - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Pyranone - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyran - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen 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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