Structure Information
Structure

Compound Identification

SMILES

CCCC[NH+](CCCC)CC1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=IWQVPJNULWXZLT-UHFFFAOYSA-O

Formula

C24H29ClNO3

Mass

414.95

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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 - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Pyranone - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Quaternary ammonium salt - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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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