Compound Identification
SMILES
COC1=C(OC)C(OC)=C(C=C1)C(=O)O[C@H](C)C(=O)NC1=CC=CC(=C1)C(C)=O
InChIKey
InChIKey=IDKMDFTZIDUISY-CYBMUJFWSA-N
Formula
C21H23NO7
Mass
401.415
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
P-methoxybenzoic acids and derivatives O-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Acetophenones Anilides Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives N-arylamides Methoxybenzenes Alkyl aryl ethers Carboxylic acid esters Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Acetophenone - Benzoic acid or derivatives - Anilide - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Phenol ether - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - 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