Compound Identification
SMILES
[Cl-].OC1=C(C[NH+]2CCCCC2)C2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1
InChIKey
InChIKey=XNSXHILCMIUBNA-UHFFFAOYSA-N
Formula
C21H22ClNO3
Mass
371.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Piperidines Benzene and substituted derivatives Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Organic zwitterions Organooxygen compounds Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxyisoflavonoid - Isoflavone - Chromone - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Piperidine - Quaternary ammonium salt - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic chloride salt - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - 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