Compound Identification
SMILES
[O-]C(=O)[C@@H](CC(=O)C1=CC=C(C=C1)C1CCCCC1)[NH2+]CC1=CC=CS1
InChIKey
InChIKey=SGMOMGWQNHHHTC-LJQANCHMSA-N
Formula
C21H25NO3S
Mass
371.5
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 D-alpha-amino acids Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Aralkylamines Beta-amino ketones Heteroaromatic compounds Quaternary ammonium salts Thiophenes Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - Aralkylamine - Keto acid - Monocyclic benzene moiety - Benzenoid - Beta-aminoketone - Thiophene - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid salt - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic zwitterion - Organic salt - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Amine - Hydrocarbon derivative - 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