Structure Information
Structure

Compound Identification

SMILES

[Cl-].OC1=C(C[NH+]2CCOCC2)C2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1

InChIKey

InChIKey=GRGICIRGYVZQHJ-UHFFFAOYSA-N

Formula

C20H20ClNO4

Mass

373.83

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