Compound Identification
SMILES
CCC1CCCCN1CC1=C(O)C=CC2=C1OC(=C(C2=O)C1=CC(Cl)=CC=C1)C(F)(F)F
InChIKey
InChIKey=QNWBCUHFOOGDQQ-UHFFFAOYSA-N
Formula
C24H23ClF3NO3
Mass
465.9
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
-
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 Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Chlorobenzenes Piperidines Aryl chlorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organochlorides Alkyl fluorides Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Pyranone - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Alkyl halide - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen 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