Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(C=CC(Cl)=C1)N1CCN(CC1)C(=O)C1=CC=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=JSIUIRIMMQFPTA-UHFFFAOYSA-N

Formula

C26H20ClN3O5

Mass

489.91

Export to:

JSON SDF CSV

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 - N-arylpiperazine - Phenylpiperazine - Coumarin - Benzopyran - 1-benzopyran - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - C-nitro compound - Lactone - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic salt - Organooxygen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic cation - 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

Previous Back Next