Compound Identification
SMILES
CC1=CC(C)=NC(NCCCC(NC(=O)C2=CC=CC=C2)C(=O)CC(CC2=CC=C(O)C=C2)C(O)=O)=N1
InChIKey
InChIKey=OETYNASKNNQAQX-UHFFFAOYSA-N
Formula
C28H32N4O5
Mass
504.587
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
Benzamides Medium-chain keto acids and derivatives Benzoyl derivatives Gamma-keto acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Amino fatty acids Aminopyrimidines and derivatives Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Heteroaromatic compounds Secondary carboxylic acid amides Ketones Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Medium-chain keto acid - Benzamide - Benzoic acid or derivatives - Gamma-keto acid - Benzoyl - Amino fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Branched fatty acid - Phenol - Aminopyrimidine - Heterocyclic fatty acid - Hydroxy fatty acid - Keto acid - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Pyrimidine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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