Compound Identification
SMILES
ClC1=CC=C(C=CC(=O)C2=CC3=C(NC4=CC=CC=C34)C=C2)C=C1
InChIKey
InChIKey=NLAZOVZLSSIIMC-UHFFFAOYSA-N
Formula
C21H14ClNO
Mass
331.8
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
Carbazoles Cinnamic acids and derivatives Indoles Styrenes Aryl ketones Chlorobenzenes Aryl chlorides Acryloyl compounds Pyrroles Enones Heteroaromatic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Carbazole - Cinnamic acid or derivatives - Indole - Indole or derivatives - Aryl ketone - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Pyrrole - Ketone - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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