Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(C)O2)C1=CC=C(F)C=C1

InChIKey

InChIKey=BJOGOJMUNVHOEL-UHFFFAOYSA-N

Formula

C26H22FNO6S

Mass

495.52

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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 - Beta amino acid or derivatives - P-toluenesulfonamide - Chromone - Benzenesulfonamide - Benzopyran - Tosyl compound - 1-benzopyran - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Pyranone - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Pyran - Aryl halide - Benzenoid - Aryl fluoride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - 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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