Compound Identification
SMILES
COC1=CC=CC(CN2C=CC=C2\C=C\C(=O)CC(=O)C(O)=O)=C1
InChIKey
InChIKey=NWPAXEAOJDQTEV-BQYQJAHWSA-N
Formula
C18H17NO5
Mass
327.336
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
Phenoxy compounds 3-Acylpyruvic acids Methoxybenzenes Anisoles Alkyl aryl ethers Amino fatty acids Heterocyclic fatty acids Beta-diketones Unsaturated fatty acids Substituted pyrroles Alpha-keto acids and derivatives Acryloyl compounds Alpha-hydroxy ketones Heteroaromatic compounds Enones Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain keto acid - Phenol ether - Anisole - Methoxybenzene - Gamma-keto acid - 3-acylpyruvic acid - Phenoxy compound - Amino fatty acid - 1,3-diketone - Heterocyclic fatty acid - Alkyl aryl ether - Unsaturated fatty acid - Fatty acyl - Substituted pyrrole - 1,3-dicarbonyl compound - Benzenoid - Alpha-keto acid - Monocyclic benzene moiety - Acryloyl-group - Pyrrole - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Alpha-hydroxy ketone - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available