Compound Identification
SMILES
CCN(CC)C(=S)SSC(=S)N(CC)CC.COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C.CC1=NC(=CC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=N1)N1CCN(CCO)CC1
InChIKey
InChIKey=JZRFLDIGRZDHTN-WCFCKUKFSA-N
Formula
C52H70ClN11O4S5
Mass
1108.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Cinchona alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cinchona alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinchona alkaloids
Alternative Parents
Aromatic anilides 4-quinolinemethanols N-arylpiperazines 2-heteroaryl carboxamides Thiuram disulfides Thiazolecarboxamides Anisoles Dialkylarylamines Quinuclidines 2,5-disubstituted thiazoles Toluenes Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Chlorobenzenes N-alkylpiperazines Imidolactams Pyridines and derivatives Piperidines 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Amino acids and derivatives Organic disulfides Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Trialkylamines Secondary amines Azacyclic compounds Sulfenyl compounds Organic oxides Organochlorides Primary alcohols Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cinchonan-skeleton - Aromatic anilide - 4-quinolinemethanol - N-arylpiperazine - Quinoline - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - Thiuram disulfide - Anisole - Quinuclidine - Dialkylarylamine - Phenol ether - Aralkylamine - Halobenzene - Chlorobenzene - Aminopyrimidine - N-alkylpiperazine - Alkyl aryl ether - 2,5-disubstituted 1,3-thiazole - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - 1,3-thiazol-2-amine - Piperazine - Piperidine - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Amino acid or derivatives - Organic disulfide - Organoheterocyclic compound - Ether - Alkanolamine - Azacycle - Secondary amine - Carboxylic acid derivative - Sulfenyl compound - Amine - Alcohol - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available