Compound Identification
SMILES
[Cl-].COC1=CC2=C(C=C[N+](CC3=CC=CC=C3)=C2C=C1)C(O)C1CC2CCN1CC2C=C
InChIKey
InChIKey=DOBHRBYCXDNPFN-UHFFFAOYSA-M
Formula
C27H31ClN2O2
Mass
451.01
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
1-benzylquinolines 4-quinolinemethanols Quinuclidines Anisoles Alkyl aryl ethers Aralkylamines Pyridinium derivatives Piperidines Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Trialkylamines 1,2-aminoalcohols Azacyclic compounds Aromatic alcohols Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinchonan-skeleton - 1-benzylquinoline - 4-quinolinemethanol - Quinoline - Anisole - Phenol ether - Quinuclidine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Pyridinium - Heteroaromatic compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic alcohol - Alcohol - Organic nitrogen compound - Amine - Organic cation - 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