Compound Identification
SMILES
OC1CN=CNC2=C1N=CN2CCCCC(CC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=KENABUKLZKAHBP-UHFFFAOYSA-N
Formula
C19H24N4O3
Mass
356.426
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Imidazodiazepines Medium-chain fatty acids 1,3-diazepines Amino fatty acids Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Formamidines Carboxylic acids Carboxamidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Imidazodiazepine - Imidazo-meta-diazepine - Medium-chain fatty acid - Meta-diazepine - Amino fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Fatty acid - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Amidine - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available