Compound Identification
SMILES
OC1=C(CN2CCCCCC2)C2=C(C=C1)C(=O)C(C1=CC(Cl)=CC=C1)=C(O2)C(F)(F)F
InChIKey
InChIKey=JVMBPWFYVSUKDT-UHFFFAOYSA-N
Formula
C23H21ClF3NO3
Mass
451.87
Taxonomic Classification
Taxonomy Tree
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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 Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azepanes Chlorobenzenes Aryl chlorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - Azepane - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Pyranone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Pyran - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - 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