Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(NC(CC(=O)C2=CC=CC=C2)C2=CC=C(Br)C=C2)=C1

InChIKey

InChIKey=OQTXRMQEWWBPHX-UHFFFAOYSA-N

Formula

C21H17BrClNO

Mass

414.73

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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 homomonocyclic compounds

Substituents

Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl ketone - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Bromobenzene - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Beta-aminoketone - Aryl bromide - Ketone - Secondary amine - Organooxygen compound - Organic oxygen compound - Amine - Organohalogen compound - Organic nitrogen compound - Organobromide - Organochloride - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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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