Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCNC(=O)CN1CCN(CC2=NC3=CC=CC=C3N2CCC(=O)C2=CC=CC=C2)CC1
InChIKey
InChIKey=MRUABWFNQUTSBF-SPIKMXEPSA-N
Formula
C33H39N5O10
Mass
665.7
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
Alpha amino acid amides N-piperazineacetamides Benzimidazoles Aryl alkyl ketones Benzoyl derivatives Aralkylamines N-alkylpiperazines Unsaturated fatty acids N-substituted imidazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-piperazineacetamide - Benzimidazole - Benzoyl - Aryl alkyl ketone - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - N-substituted imidazole - Piperazine - Unsaturated fatty acid - Fatty acyl - Benzenoid - Fatty acid - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - 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