Compound Identification
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H](OC(=O)CCCCCCCCN1C=C(CCCCCCCCC(=O)O[C@@H]([C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)C2=C3C=C(OC)C=CC3=NC=C2)N=N1)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C
InChIKey
InChIKey=KAILNJQNHIGTNA-VWTKTFGCSA-N
Formula
C60H79N7O6
Mass
994.335
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
Quinolines and derivatives Anisoles Quinuclidines Alkyl aryl ethers Aralkylamines Fatty acid esters Pyridines and derivatives Piperidines Dicarboxylic acids and derivatives Triazoles Heteroaromatic compounds Carboxylic acid esters Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinchonan-skeleton - Quinoline - Anisole - Phenol ether - Quinuclidine - Alkyl aryl ether - Aralkylamine - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Piperidine - Pyridine - Azole - Heteroaromatic compound - 1,2,3-triazole - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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