Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=HGLTWZFDNYZDIE-UHFFFAOYSA-N

Formula

C23H15ClN2O6

Mass

450.83

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 - Benzanilide - Aromatic anilide - Coumarin - Benzopyran - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenoxy compound - Phenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Pyranone - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Pyran - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Organic nitro compound - C-nitro compound - Lactone - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organic zwitterion - Organonitrogen compound - Organooxygen 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

Previous Back Next