Compound Identification
SMILES
Cl.CN(C)CC1=CC(C=CC(=O)C2=CC=C(Br)C=C2)=CC(CN(C)C)=C1O
InChIKey
InChIKey=YHBBZRJKWYBMEW-UHFFFAOYSA-N
Formula
C21H26BrClN2O2
Mass
453.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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 Hydroxycinnamic acids and derivatives Styrenes Phenylmethylamines Aryl ketones Benzylamines Benzoyl derivatives Phenols Aralkylamines Bromobenzenes Aryl bromides Acryloyl compounds Enones Trialkylamines Hydrocarbon derivatives Hydrochlorides Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Benzoyl - Benzylamine - Aryl ketone - Phenylmethylamine - Styrene - Bromobenzene - Halobenzene - Aralkylamine - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Tertiary amine - Tertiary aliphatic amine - Ketone - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organohalogen compound - Organobromide - 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