Compound Identification
SMILES
CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC1)[C@@H](O)C(O)=O)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
InChIKey
InChIKey=QFJAHHNMKTWTGZ-LOWBJLHGSA-N
Formula
C35H36ClNO4S
Mass
602.19
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 Thia fatty acids Hydroxy fatty acids Alpha hydroxy acids and derivatives Pyridines and derivatives Aryl chlorides Tertiary alcohols Heteroaromatic compounds Secondary alcohols Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Organochlorides Aromatic alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Styrene - Thia fatty acid - Hydroxy fatty acid - Alpha-hydroxy acid - Aryl chloride - Fatty acyl - Hydroxy acid - Benzenoid - Monocyclic benzene moiety - Pyridine - Aryl halide - Tertiary alcohol - Heteroaromatic compound - Secondary alcohol - Thioether - Carboxylic acid derivative - Sulfenyl compound - Dialkylthioether - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - 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