Compound Identification
SMILES
CC1=CC=CC=C1C(=O)CC(=O)C1=C(O)C=C(Cl)C=C1
InChIKey
InChIKey=SCSUJVFKBZDHBN-UHFFFAOYSA-N
Formula
C16H13ClO3
Mass
288.73
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 Retro-dihydrochalcones
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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
Retro-dihydrochalcones
Alternative Parents
2'-Hydroxy-dihydrochalcones Cinnamylphenols Alkyl-phenylketones Butyrophenones M-chlorophenols Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Beta-diketones Toluenes 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Vinylogous acids Hydrocarbon derivatives Organochlorides Aldehydes Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2'-hydroxy-dihydrochalcone - Retro-dihydrochalcone - Cinnamylphenol - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - 3-halophenol - 3-chlorophenol - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Toluene - 1,3-diketone - Aryl halide - Aryl chloride - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Vinylogous acid - Ketone - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available