Compound Identification
SMILES
CC(C)(O)C1=CC=CC=C1CCC(SCC1(CC(O)=O)CC1)C1=CC=CC(CCC2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
InChIKey
InChIKey=QYOIIAUGMZLCEO-UHFFFAOYSA-N
Formula
C35H38ClNO3S
Mass
588.2
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 Thia fatty acids Hydroxy fatty acids Aryl chlorides Pyridines and derivatives Tertiary alcohols Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Hydroxy fatty acid - Thia fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Thioether - Dialkylthioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Aromatic alcohol - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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