Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C(=O)C[C@@H]([NH+]1CC[NH+](C)CC1)C([O-])=O
InChIKey
InChIKey=KXDASKCFWSNUQJ-MRXNPFEDSA-O
Formula
C18H27N2O3
Mass
319.424
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 Aromatic monoterpenoids Monocyclic monoterpenoids D-alpha-amino acids Phenylpropanes Cumenes Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives N-methylpiperazines Beta-amino ketones Quaternary ammonium salts Carboxylic acid salts Amino acids Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - D-alpha-amino acid - Cumene - Phenylpropane - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Beta-aminoketone - 1,4-diazinane - Keto acid - Benzenoid - Piperazine - Quaternary ammonium salt - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organonitrogen compound - Amine - Organic oxide - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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