Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O.CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F

InChIKey

InChIKey=HQYMLNIWZCBBBH-UHFFFAOYSA-N

Formula

C33H24F4N2O9S

Mass

700.61

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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

Not available

Substituents

Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Benzenesulfonyl group - Anilide - Benzonitrile - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Pyranone - Pyran - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Tertiary alcohol - Sulfonyl - Sulfone - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Cyanide - 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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