Compound Identification
SMILES
[Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(CCC2=NC3=C(SC=C3Cl)C=C2)=C1
InChIKey
InChIKey=PLMLMEOATVJITD-LNLSOMNWSA-M
Formula
C33H35ClNNaO3S2
Mass
616.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Thienopyridines Phenylpropanes Thia fatty acids Hydroxy fatty acids Aryl chlorides Pyridines and derivatives Thiophenes Tertiary alcohols Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic metal halides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Aromatic alcohols Organic oxides Organic sodium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Phenylpropane - Thienopyridine - Hydroxy fatty acid - Thia fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Thiophene - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Thioether - Dialkylthioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic sodium salt - Organic salt - Organic oxide - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available