Compound Identification
SMILES
CC(C)(C)C1=C(O)C(=CC(=C1)C1(C=CC=N1)C(C(O)=O)C1=CSC=N1)C(C)(C)CO
InChIKey
InChIKey=XVDRRAOZDGVYLB-UHFFFAOYSA-N
Formula
C23H28N2O4S
Mass
428.55
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
Phenylpropanes Phenols Thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Phenylpropane - Phenol - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Imine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Carbonyl group - Alcohol - 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