Compound Identification
SMILES
CCC1=CC(S[C@H]([C@@H](O)C(O)=O)C2=CC=C(OC)C=C2)=C(N)C=C1
InChIKey
InChIKey=JQDDPJVNJBDNCH-SJORKVTESA-N
Formula
C18H21NO4S
Mass
347.43
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
Aniline and substituted anilines Anisoles Methoxybenzenes Phenoxy compounds Thiophenol ethers Alkylarylthioethers Alkyl aryl ethers Monosaccharides Alpha hydroxy acids and derivatives Amino acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Anisole - Phenol ether - Thiophenol ether - Aniline or substituted anilines - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Alpha-hydroxy acid - Benzenoid - Amino acid - Secondary alcohol - Amino acid or derivatives - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Primary amine - Alcohol - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxide - Organic nitrogen compound - 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