Compound Identification
SMILES
[Na+].CC(C)(CO)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(=C1)C1CC1C1=NC2=C(SC(Cl)=C2Cl)C=C1
InChIKey
InChIKey=UYKBXOXPEKQGJN-WNJWITAHSA-M
Formula
C35H36Cl2NNaO3S2
Mass
676.69
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 Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic metal halides Hydrocarbon derivatives Organonitrogen compounds Organochlorides Carbonyl compounds Primary alcohols Organic oxides Organic sodium salts Organic zwitterions
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 - Benzenoid - Fatty acyl - Heteroaromatic compound - Thiophene - Carboxylic acid salt - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic metal halide - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic sodium salt - Organic oxygen compound - Primary alcohol - Carbonyl group - Organic oxide - Organic salt - Alcohol - Organic nitrogen compound - 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