Compound Identification
SMILES
Br\C(C(=S)N1CCCCC1)=C(\C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=CQDXSODTHBGOMY-SHHOIMCASA-N
Formula
C28H26BrNOS
Mass
504.49
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
Stilbenes Alkyl-phenylketones Butyrophenones Aryl alkyl ketones Benzoyl derivatives Piperidines Thioamides Vinyl bromides Thiocarboxylic acid amides Azacyclic compounds Bromoalkenes Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Stilbene - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Piperidine - Benzenoid - Thioamide - Ketone - Azacycle - Bromoalkene - Haloalkene - Thiocarboxylic acid amide - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Thiocarbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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