Compound Identification
SMILES
FC1=CC=C(C=NC2=CC=CC(=C2)C(=O)C=CC2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=XFUKXBLRWVCEHZ-UHFFFAOYSA-N
Formula
C22H15BrFNO
Mass
408.27
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 Styrenes Aryl ketones Benzoyl derivatives Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Enones Acryloyl compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organofluorides Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Styrene - Aryl ketone - Benzoyl - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Shiff base - Aldimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Imine - 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