Compound Identification
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.COC1=CC2=C(C=CN=C2C=C1)[C@H](O)C1C[C@@H]2CCN1C[C@@H]2C=C
InChIKey
InChIKey=XHKUDCCTVQUHJQ-OSPZJNBRSA-N
Formula
C26H36N2O9
Mass
520.579
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 Medium-chain hydroxy acids and derivatives Quinuclidines Anisoles Medium-chain fatty acids Sugar acids and derivatives Alkyl aryl ethers Aralkylamines Beta hydroxy acids and derivatives Hydroxy fatty acids Alpha hydroxy acids and derivatives Pyridines and derivatives Piperidines Monosaccharides Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Carboxylic acids Polyols Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Primary alcohols Organic oxides
Molecular Framework
Not available
Substituents
Cinchonan-skeleton - Gluconic_acid - 4-quinolinemethanol - Quinoline - Medium-chain hydroxy acid - Anisole - Phenol ether - Quinuclidine - Medium-chain fatty acid - Alkyl aryl ether - Beta-hydroxy acid - Hydroxy fatty acid - Aralkylamine - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Fatty acyl - Piperidine - Pyridine - Fatty acid - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Ether - Aromatic alcohol - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Primary 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