Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(C(=C)C(=O)C1=CC=CC=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=OEMSHKOIHTZWDM-UHFFFAOYSA-N
Formula
C23H20BrNO3S
Mass
470.38
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
P-toluenesulfonamides Butyrophenones Benzenesulfonamides Benzenesulfonyl compounds Aryl ketones Benzoyl derivatives Bromobenzenes Organosulfonamides Aryl bromides Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Aminosulfonyl compounds Enones Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - P-toluenesulfonamide - Butyrophenone - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Alpha,beta-unsaturated ketone - Sulfonyl - Acryloyl-group - Organosulfonic acid or derivatives - Enone - Organic sulfonic acid or derivatives - Ketone - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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