Compound Identification
SMILES
OC(=O)C(O)=O.COC(=O)C1=CC=CC=C1CC[C@@H](SCC1(CO)CC1)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
InChIKey
InChIKey=DTEYZXDZUKXTJG-AEADHHNXSA-N
Formula
C35H34ClNO7S
Mass
648.17
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 Benzoic acid esters Styrenes Benzoyl derivatives Pyridines and derivatives Aryl chlorides Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Primary alcohols
Molecular Framework
Not available
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Benzoate ester - Benzoic acid or derivatives - Styrene - Benzoyl - Aryl chloride - Benzenoid - Aryl halide - Dicarboxylic acid or derivatives - Pyridine - Monocyclic benzene moiety - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - 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