Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=C(C)C2=C(OC1=O)C=C(OCC#N)C=C2

InChIKey

InChIKey=GOKIJUMXCHIWPB-UHFFFAOYSA-N

Formula

C19H15NO4

Mass

321.332

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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

Coumarins and derivatives 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Cyanide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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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