Structure Information
Structure

Compound Identification

SMILES

CCC(O)C1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1F

InChIKey

InChIKey=NWQWVAFXILAZCT-UHFFFAOYSA-N

Formula

C18H15FO3

Mass

298.313

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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

Chromones Pyranones and derivatives Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Chromone - Benzopyran - 1-benzopyran - Fluorobenzene - Halobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic alcohol - Alcohol - 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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