Compound Identification
SMILES
CCC(CSC(CCC1=CC=CC=C1C(N)=O)C1=CC(OCC2=NC3=C(C=CC(Cl)=C3)C=C2)=CC=C1)C(O)=O
InChIKey
InChIKey=APPLGAQTEJYNIL-UHFFFAOYSA-N
Formula
C31H31ClN2O4S
Mass
563.11
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 Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Primary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Thioether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Sulfenyl compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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