Structure Information
Structure

Compound Identification

SMILES

OC1=C(Cl)C=C2C(=O)C(=COC2=C1)C1=CC(OCCCCC#N)=CC=C1

InChIKey

InChIKey=FBDBRXPNFMWKTA-UHFFFAOYSA-N

Formula

C20H16ClNO4

Mass

369.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - 2-halophenol - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organic oxygen compound - Cyanide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

External Descriptors

Not available

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