Compound Identification
SMILES
CC1=CC=C(C=C1)C(CC(O)=O)CC1=CSC(CCCC2=NC3=C(CCCN3)C=C2)=N1
InChIKey
InChIKey=BWTGSGUCWZRNSU-UHFFFAOYSA-N
Formula
C25H29N3O2S
Mass
435.59
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
Naphthyridines Bicyclic monoterpenoids Aromatic monoterpenoids Toluenes 2,4-disubstituted thiazoles Pyridines and derivatives Imidolactams Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Naphthyridine - 2,4-disubstituted 1,3-thiazole - Toluene - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Amine - Organooxygen 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