Compound Identification
SMILES
CC1=C(SC(CC(=O)C2=CC=CC=C2)C2=CC=CC=C2)C(N)=CC=C1
InChIKey
InChIKey=VTMFOOLBBZZGBE-UHFFFAOYSA-N
Formula
C22H21NOS
Mass
347.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
-
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 Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Aminotoluenes Alkylarylthioethers Sulfenyl compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aminotoluene - Aniline or substituted anilines - Aryl alkyl ketone - Aryl ketone - Thiophenol ether - Aryl thioether - Alkylarylthioether - Toluene - Benzenoid - Monocyclic benzene moiety - Ketone - Thioether - Sulfenyl compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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