Compound Identification
SMILES
COC1=CC=CC(=C1)N1CC(CC1=O)C(=O)OCC(=O)C1=CC=C(OC(=O)C2=CC=CO2)C=C1
InChIKey
InChIKey=PLXNWQXPSZQNTH-UHFFFAOYSA-N
Formula
C25H21NO8
Mass
463.442
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
Phenylpyrrolidines Phenol esters Furoic acid esters Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Oxoprolines Pyrrolidine carboxylic acids Phenoxy compounds Alpha-acyloxy ketones Alkyl aryl ethers Pyrrolidine-2-ones Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - Phenol ester - Furoic acid ester - Methoxyaniline - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Anisole - Phenoxy compound - Phenol ether - Benzoyl - Furoic acid or derivatives - Methoxybenzene - Oxoproline - Aryl alkyl ketone - Alpha-acyloxy ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Furan - Pyrrole - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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