Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@@H](NCC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=YPNDOBKRDCLOAO-GOSISDBHSA-N
Formula
C21H25NO3
Mass
339.435
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 Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Benzylamines Phenylmethylamines Gamma-keto acids and derivatives Aralkylamines Beta-amino ketones Amino acids Carboxylic acids Dialkylamines Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Phenylpropane - Benzoyl - Benzylamine - Gamma-keto acid - Aryl alkyl ketone - Phenylmethylamine - Aralkylamine - Benzenoid - Keto acid - Monocyclic benzene moiety - Beta-aminoketone - Amino acid or derivatives - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organopnictogen compound - Aromatic homomonocyclic 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