Compound Identification
SMILES
CC1=CC(NS(=O)(=O)C2=CC=C(NC(CC(=O)C3=CC=C(Cl)C=C3)C3=CC(O)=CC=C3)C=C2)=NO1
InChIKey
InChIKey=LLJOUFOWLDBJTH-UHFFFAOYSA-N
Formula
C25H22ClN3O5S
Mass
511.98
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
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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
Cinnamylphenols Alkyl-phenylketones Aminobenzenesulfonamides Butyrophenones Benzenesulfonyl compounds Phenylalkylamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids Organosulfonamides Beta-amino ketones Aryl chlorides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Isoxazoles Oxacyclic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Cinnamylphenol - Alkyl-phenylketone - Aminobenzenesulfonamide - Butyrophenone - Benzenesulfonamide - Phenylketone - Benzenesulfonyl group - Benzoyl - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Secondary aliphatic/aromatic amine - Aralkylamine - Beta-aminoketone - Aryl chloride - Benzenoid - Imidolactam - Aryl halide - Organosulfonic acid amide - Monocyclic benzene moiety - Azole - Isoxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Ketone - Secondary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic 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