Structure Information
Structure

Compound Identification

SMILES

CC1=CC(COC2=CC3=C(C=C2)C(=O)C(C2=CC=C(Cl)C=C2)=C(O3)C(F)(F)F)=C(C)C=C1

InChIKey

InChIKey=GFTPYPAZOHPOTR-UHFFFAOYSA-N

Formula

C25H18ClF3O3

Mass

458.86

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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

Isoflavone - Chromone - Benzopyran - 1-benzopyran - P-xylene - Xylene - Alkyl aryl ether - Pyranone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Ether - Organofluoride - Organooxygen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organochloride - Organohalogen compound - 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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