Compound Identification
SMILES
BrC1=CC=C(\C=C\C(=O)C2=CC=C(N\C=C3/C=NC4=CC=CC=C34)C=C2)C=C1
InChIKey
InChIKey=MMMAVJSVIVMCHW-WIBURPFZSA-N
Formula
C24H17BrN2O
Mass
429.317
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
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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
Cinnamic acids and derivatives Indoles and derivatives Styrenes Aniline and substituted anilines Aryl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Acryloyl compounds Enones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Imines Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Indole or derivatives - Benzoyl - Styrene - Aryl ketone - Aniline or substituted anilines - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Enamine - Hydrocarbon derivative - Imine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic 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