Structure Information
Structure

Compound Identification

SMILES

[Cl-].OC1=C(C[NH+]2CCCCC2)C2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1

InChIKey

InChIKey=XNSXHILCMIUBNA-UHFFFAOYSA-N

Formula

C21H22ClNO3

Mass

371.86

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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

Hydroxyisoflavonoid - Isoflavone - Chromone - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Piperidine - Quaternary ammonium salt - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic chloride salt - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - 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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