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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
Hydroxyisoflavonoids Chromones Trifluoromethylbenzenes Anilides Benzenesulfonyl compounds Benzonitriles N-arylamides Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Vinylogous acids Tertiary alcohols Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Oxacyclic compounds Carbonyl compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
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