Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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