Compound Identification
SMILES
CC1=CC=CC(=C1)C(=O)C[C@H](SCC([O-])=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=VHOONYHWBRAUKB-KRWDZBQOSA-M
Formula
C18H16ClO3S
Mass
347.83
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
Alkyl-phenylketones Butyrophenones Aryl alkyl ketones Benzoyl derivatives Toluenes Chlorobenzenes Aryl chlorides Carboxylic acid salts Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organochlorides Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Ketone - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic anion - 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