Compound Identification
SMILES
COC1=C(OC[C@@H](O)CNC[C@H]2CCCO2)C=CC(=C1)C(C)=O
InChIKey
InChIKey=MITYVVHGAMDZJY-LSDHHAIUSA-N
Formula
C17H25NO5
Mass
323.389
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 Phenoxy compounds Methoxybenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Oxolanes Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Dialkyl ethers Organic oxides Hydrocarbon derivatives Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxolane - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Aldehyde - Alcohol - Organic nitrogen 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