Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1C(=O)OC2=C(C=CC(O)=C2)C1(O)C(F)(F)F

InChIKey

InChIKey=FKRYTHOLFQFQBJ-UHFFFAOYSA-N

Formula

C17H13F3O5

Mass

354.281

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

O-methylated isoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

4'-O-methylated isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4p-methoxyisoflavonoid - Hydroxyisoflavonoid - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Lactone - Halohydrin - Fluorohydrin - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Alcohol - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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