Compound Identification
SMILES
CC(C)(C)C1=CC=C(CN(CCOC2=CC=C(CCC(O)=O)C=C2)C2=NC3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=FDQATLLJBRABRJ-UHFFFAOYSA-N
Formula
C29H32N2O3S
Mass
488.65
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 Benzothiazoles Phenoxy compounds Benzylamines Dialkylarylamines Phenol ethers Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Phenylpropane - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Dialkylarylamine - Benzylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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