Compound Identification
SMILES
C[C@H](O)[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](NC2=CC=CC(=C2)C(C)=O)[C@](O)(COC(=O)C2=C(C)C=CC=C2O)[C@]1(C)O
InChIKey
InChIKey=WVIUOSJLUCTGFK-JUJPXXQGSA-N
Formula
C28H38N4O8
Mass
558.632
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
-
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
o-Hydroxybenzoic acid esters Aromatic monoterpenoids Iridoids and derivatives Monocyclic monoterpenoids Salicylic acid and derivatives Acetophenones Aniline and substituted anilines Phenylalkylamines Aryl alkyl ketones Benzoyl derivatives Meta cresols Toluenes Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Cyclopentanols Vinylogous acids 1,3-aminoalcohols Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters 1,2-aminoalcohols Amino acids and derivatives Ureas Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - O-hydroxybenzoic acid ester - Aromatic monoterpenoid - Benzoate ester - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Salicylic acid or derivatives - Acetophenone - Benzoic acid or derivatives - Benzoyl - M-cresol - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Cyclopentanol - Tertiary alcohol - Cyclic alcohol - Vinylogous acid - 1,3-aminoalcohol - Urea - Carbonic acid derivative - Amino acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid ester - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Alcohol - Organopnictogen compound - Primary amine - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - 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