Compound Identification
SMILES
CC(C)(O)C1=CC=CC=C1CCC(SCCC(O)=O)C1=CC=CC(=C1)C#CC1=NC2=C(C=CC(Cl)=C2)C=C1
InChIKey
InChIKey=ZHXFFVAMTLWEQB-UHFFFAOYSA-N
Formula
C32H30ClNO3S
Mass
544.11
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 Pyridines and derivatives Aryl chlorides Tertiary alcohols Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Aromatic 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