Compound Identification
SMILES
CC(O)(C(O)=O)C1=CC=CC=C1CC[C@@H](SCC1(CC(O)=O)CC1)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
InChIKey
InChIKey=FJSYYPGNUBZDIM-VZLZVWCJSA-N
Formula
C35H34ClNO5S
Mass
616.17
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
Chloroquinolines Styrenes Thia fatty acids Hydroxy fatty acids Alpha hydroxy acids and derivatives Pyridines and derivatives Aryl chlorides Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Organonitrogen compounds Carbonyl compounds Organochlorides Aromatic alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Styrene - Hydroxy fatty acid - Thia fatty acid - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Pyridine - Benzenoid - Fatty acyl - Tertiary alcohol - Heteroaromatic compound - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Alcohol - Organochloride - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - 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