Compound Identification
SMILES
CCCC[NH+](CCCC)CC1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=IWQVPJNULWXZLT-UHFFFAOYSA-O
Formula
C24H29ClNO3
Mass
414.95
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 Aryl chlorides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Oxacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Pyranone - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Quaternary ammonium salt - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen 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