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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
P-toluenesulfonamides Beta amino acids and derivatives Chromones Benzenesulfonamides Benzenesulfonyl compounds Pyranones and derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
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