Compound Identification
SMILES
CC(C)CC(=O)C1=C(O)C(C)=C(OCC2=CC(CSC3=CC=NC=C3)=CC=C2)C=C1
InChIKey
InChIKey=DKDJBHXKPNNQGW-UHFFFAOYSA-N
Formula
C25H27NO3S
Mass
421.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Phenoxy compounds Phenol ethers Ortho cresols Aryl alkyl ketones Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Pyridines and derivatives Vinylogous acids Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenoxy compound - Aryl thioether - Benzoyl - O-cresol - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Toluene - Alkylarylthioether - Pyridine - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available