Compound Identification
SMILES
CN1CCC(=O)[C@@H](C1)[C@@H](CC(=O)C1=CC=CC=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=NJFASZGZJXEZKY-OALUTQOASA-N
Formula
C21H22ClNO2
Mass
355.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Butyrophenones Benzoyl derivatives Aryl alkyl ketones Piperidinones Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Cyclic ketones Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Piperidinone - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Piperidine - Monocyclic benzene moiety - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Organoheterocyclic compound - Azacycle - Organic oxide - Organohalogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available