Compound Identification
SMILES
NCC1=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=ICBMMWSPDPPRHQ-HKHDRNBDSA-N
Formula
C42H45ClN2O3S
Mass
693.34
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 Benzylamines Phenylmethylamines 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 Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organochlorides
Molecular Framework
Not available
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Benzylamine - Phenylmethylamine - Styrene - Hydroxy fatty acid - Thia fatty acid - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Fatty acyl - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Dialkylthioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Primary aliphatic amine - Organic oxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - 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