Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1OC(=O)C1=CN=CC=C1
InChIKey
InChIKey=XNKOPTZGYYEWIM-FMIVXFBMSA-N
Formula
C21H14ClNO3
Mass
363.8
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
Cinnamic acids and derivatives Phenol esters Pyridinecarboxylic acids Styrenes Phenoxy compounds Aryl ketones Benzoyl derivatives Chlorobenzenes Aryl chlorides Acryloyl compounds Heteroaromatic compounds Enones Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Phenol ester - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoyl - Phenoxy compound - Styrene - Aryl ketone - Chlorobenzene - Halobenzene - Pyridine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic 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