Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=O)COC2=CC=C(C=C2)[N+]([O-])=O)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=HXSHRRAKTKMUHT-UHFFFAOYSA-N

Formula

C24H18N2O7

Mass

446.415

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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 - Anilide - Methoxyaniline - Nitrobenzene - N-arylamide - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Lactone - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - 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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