Structure Information
Structure

Compound Identification

SMILES

COCCCN1COC2=C(C1)C1=C(C=C2)C(=O)C(C2=CC=C(F)C=C2)=C(O1)C(F)(F)F

InChIKey

InChIKey=ZDCMEEQVMLMWIA-UHFFFAOYSA-N

Formula

C22H19F4NO4

Mass

437.391

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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 - Benzoxazine - 1-benzopyran - Fluorobenzene - Pyranone - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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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