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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
-
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 Phenylalkylamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Secondary alkylarylamines Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Beta-amino ketones Organochlorides Organobromides Hydrocarbon derivatives Organic oxides
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