Compound Identification
SMILES
CCCCCCC(C)(C(O)=O)S(=O)(=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C
InChIKey
InChIKey=ZECYDVUQUCBMDL-UHFFFAOYSA-N
Formula
C35H46N2O6S
Mass
622.82
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
4-quinolinemethanols Benzenesulfonyl compounds Quinuclidines Medium-chain fatty acids Anisoles Thia fatty acids Methyl-branched fatty acids Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Sulfones Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Not available
Substituents
Cinchonan-skeleton - 4-quinolinemethanol - Quinoline - Benzenesulfonyl group - Medium-chain fatty acid - Quinuclidine - Anisole - Aralkylamine - Methyl-branched fatty acid - Thia fatty acid - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Sulfone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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