Compound Identification
SMILES
C1CCC(CC1)NC1CCCCC1.CCO[C@@H](CC1=CC=C(OCCN2CCSC3=CC=CC=C23)C=C1)C(O)=O
InChIKey
InChIKey=AGQCKPISGYTILM-FYZYNONXSA-N
Formula
C33H48N2O4S
Mass
568.82
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
Benzothiazines Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Alkylarylthioethers Cyclohexylamines 1,4-thiazines Amino acids Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Dialkyl ethers Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Benzothiazine - Phenoxy compound - Aryl thioether - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Cyclohexylamine - Alkylarylthioether - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Thioether - Secondary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - 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