Structure Information
Structure

Compound Identification

SMILES

CCCNCC(O)COC1=CC2=C(C=C1)C(=O)C(C1=CC=CC=C1)=C(O2)C(F)(F)F

InChIKey

InChIKey=DATGFPGTPIHOMT-UHFFFAOYSA-N

Formula

C22H22F3NO4

Mass

421.416

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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 - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Oxacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Organooxygen compound - 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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