Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C(N=[N+]=[N-])=C(C(=O)O2)C1=CC=CC=C1

InChIKey

InChIKey=QTLPLKUPSSJBOB-UHFFFAOYSA-N

Formula

C16H11N3O3

Mass

293.282

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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 - Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Azo imide - Azo compound - Oxacycle - Organoheterocyclic compound - Ether - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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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