Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C1=CC=CC=C1

InChIKey

InChIKey=KVZUFLPHFIZKJQ-UHFFFAOYSA-N

Formula

C22H13NO6

Mass

387.347

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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 - Nitrobenzoate - Coumarin - Benzoate ester - Benzopyran - Phenol ester - 1-benzopyran - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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

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