Structure Information
Structure

Compound Identification

SMILES

OC1=C(C[NH+]2CCCCCC2)C2=C(C=C1)C(=O)C(C1=CC(Cl)=CC=C1)=C(O2)C(F)(F)F

InChIKey

InChIKey=JVMBPWFYVSUKDT-UHFFFAOYSA-O

Formula

C23H22ClF3NO3

Mass

452.88

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