Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.OCCN1CCN(CC(=O)C2=CC=C(C=C2)C2CCCC2)CC1
InChIKey
InChIKey=AQOVVDNPPDWMHM-SPIKMXEPSA-N
Formula
C27H36N2O10
Mass
548.589
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
Benzoyl derivatives Aryl alkyl ketones N-alkylpiperazines Unsaturated fatty acids Dicarboxylic acids and derivatives Alpha-amino ketones Trialkylamines 1,2-aminoalcohols Carboxylic acids Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - N-alkylpiperazine - Monocyclic benzene moiety - Fatty acyl - Fatty acid - 1,4-diazinane - Benzenoid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Piperazine - Alpha-aminoketone - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Primary alcohol - 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