Compound Identification
SMILES
CC1=CC=C(C=C1)[C@H](SC1=C(N)C=CC(C)=C1)[C@@H](O)C(O)=O
InChIKey
InChIKey=PQKFVYCCGJKKOY-CVEARBPZSA-N
Formula
C17H19NO3S
Mass
317.4
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
Thiophenol ethers Aniline and substituted anilines Aminotoluenes Alkylarylthioethers Monosaccharides Alpha hydroxy acids and derivatives Secondary alcohols Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Aryl thioether - Aminotoluene - Aniline or substituted anilines - Thiophenol ether - Alkylarylthioether - Toluene - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Monosaccharide - Amino acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic homomonocyclic 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