Compound Identification
SMILES
[Br-].O[C@H]([C@H]1C[C@@H]2CC[N+]1(CC1=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C1)C[C@@H]2C=C)C1=CC=NC2=CC=CC=C12
InChIKey
InChIKey=GXWPJJQOZVACNP-HSHXVKBGSA-M
Formula
C47H47BrN2O4
Mass
783.807
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
N-benzylpiperidines 4-quinolinemethanols Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Quinuclidines Alkyl aryl ethers Aralkylamines Pyridines and derivatives Heteroaromatic compounds Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organic zwitterions Organic bromide salts Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinchonan-skeleton - N-benzylpiperidine - Benzylpiperidine - 4-quinolinemethanol - Quinoline - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Quinuclidine - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyridine - Heteroaromatic compound - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Organoheterocyclic compound - Ether - Azacycle - Amine - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic bromide salt - 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