Compound Identification
SMILES
CC(=O)OCC1=C(OC(C)=O)C=CC(=C1)C(=O)\C=C\C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PMAPQFUTCQFRPY-WEVVVXLNSA-N
Formula
C20H17ClO5
Mass
372.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Phenol esters Benzyloxycarbonyls Styrenes Phenoxy compounds Benzoyl derivatives Aryl ketones Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Enones Acryloyl compounds Carboxylic acid esters Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Phenol ester - Benzyloxycarbonyl - Phenoxy compound - Aryl ketone - Styrene - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - 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