Compound Identification
SMILES
CN(C)CC1=CC(=CC(CN(C)C)=C1O)C(=O)C=CC1=CC=C(Br)C=C1
InChIKey
InChIKey=XNYDDMGPBXTGGX-UHFFFAOYSA-N
Formula
C21H25BrN2O2
Mass
417.347
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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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
Retrochalcones
Alternative Parents
Cinnamylphenols Cinnamic acids and derivatives Aryl ketones Benzoyl derivatives Benzylamines Styrenes Phenylmethylamines Bromobenzenes Phenols Aralkylamines Aryl bromides Enones Acryloyl compounds Trialkylamines Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Benzoyl - Benzylamine - Aryl ketone - Phenylmethylamine - Styrene - Bromobenzene - Aralkylamine - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Tertiary aliphatic amine - Tertiary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available