Compound Identification
SMILES
OC1=C(C[NH+]2CCCCCC2)C2=C(C=C1)C(=O)C(C1=CC(Cl)=CC=C1)=C(O2)C(F)(F)F
InChIKey
InChIKey=JVMBPWFYVSUKDT-UHFFFAOYSA-O
Formula
C23H22ClF3NO3
Mass
452.88
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 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azepanes Chlorobenzenes Pyranones and derivatives Aryl chlorides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Organochlorides Organofluorides Organooxygen compounds Organic cations
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 - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Organic oxide - Alkyl fluoride - Organohalogen compound - Organic oxygen compound - Amine - Alkyl halide - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic cation - 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