Compound Identification
SMILES
OC(=O)C(O)=O.CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC#N)CC1)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
InChIKey
InChIKey=ZBDPCAFEMVSDKZ-XKQRQPTDSA-N
Formula
C37H37ClN2O5S
Mass
657.22
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 Aryl chlorides Pyridines and derivatives Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Nitriles Organochlorides Carbonyl compounds Organic oxides Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Styrene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - Carbonyl group - Alcohol - Organic oxide - 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