Compound Identification
SMILES
OC(=O)C(O)=O.CC(C)OC1=C(OCCNCC2=CC(OC3CCCC3)=CC=C2)C=C(C=C1)C(C)=O
InChIKey
InChIKey=NIEIQBIPQAUHJG-UHFFFAOYSA-N
Formula
C27H35NO8
Mass
501.576
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
Acetophenones Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Benzoyl derivatives Aryl alkyl ketones Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Acetophenone - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Aryl alkyl ketone - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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