Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(OCC(=O)NC2=CC(Cl)=C(C=C2)C2=CC3=CC=CC=C3OC2=O)C=C1

InChIKey

InChIKey=GSNIFNYWTSAYCE-UHFFFAOYSA-N

Formula

C23H15ClN2O6

Mass

450.83

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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 - Nitrophenyl ether - Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Pyranone - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyran - Heteroaromatic compound - Lactone - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organopnictogen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen 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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