Compound Identification
SMILES
CC1=CN([C@@H]2O[C@H](C(O)C(=O)C3=CC=CC=C3)[C@@H](O)[C@H]2O)C(=O)N=C1N
InChIKey
InChIKey=PEKGRYZKVVHBBC-DFKKCSDESA-N
Formula
C17H19N3O6
Mass
361.354
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
Glycosylamines Benzoyl derivatives Aryl alkyl ketones Pyrimidones Aminopyrimidines and derivatives Acyloins Imidolactams Hydropyrimidines Oxolanes Alpha-hydroxy ketones Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-glycosyl compound - Glycosyl compound - Aryl alkyl ketone - Benzoyl - Pyrimidone - Aminopyrimidine - Hydropyrimidine - Acyloin - Pyrimidine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Heteroaromatic compound - Oxolane - Alpha-hydroxy ketone - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Primary amine - Organonitrogen 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