Compound Identification
SMILES
C[C@H]1OC(=O)N[C@@]11[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=GRYVVIDCTCRLJM-BXSXBJHJSA-N
Formula
C26H31N3O8
Mass
513.547
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
o-Hydroxybenzoic acid esters Aromatic monoterpenoids Iridoids and derivatives Salicylic acid and derivatives Acetophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Meta cresols Phenylalkylamines Secondary alkylarylamines Toluenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxazolidinones Vinylogous acids Carbamate esters Tertiary alcohols Carboxylic acid esters 1,2-diols 1,2-aminoalcohols Cyclic alcohols and derivatives Organic carbonic acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - O-hydroxybenzoic acid ester - Aromatic monoterpenoid - Benzoate ester - 11-noriridane monoterpenoid - Monoterpenoid - Salicylic acid or derivatives - Acetophenone - Benzoic acid or derivatives - Benzoyl - M-cresol - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Toluene - Benzenoid - Monocyclic benzene moiety - Oxazolidinone - Vinylogous acid - Carbamic acid ester - Tertiary alcohol - Oxazolidine - Cyclic alcohol - Amino acid or derivatives - 1,2-aminoalcohol - 1,2-diol - Carboxylic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Primary aliphatic amine - Primary amine - Aromatic heteropolycyclic 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