Compound Identification
SMILES
CC(N)C1=CC=CC=C1.CC(C)(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=XJJPPYUYPWVWGL-HKHDRNBDSA-N
Formula
C43H47ClN2O3S
Mass
707.37
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 Phenylpropanes Styrenes Aralkylamines Thia fatty acids Hydroxy fatty acids Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Tertiary alcohols Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Sulfenyl compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols Carbonyl compounds
Molecular Framework
Not available
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Styrene - Thia fatty acid - Hydroxy fatty acid - Aralkylamine - Aryl chloride - Aryl halide - Fatty acyl - Pyridine - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organosulfur compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic alcohol - Alcohol - 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