Compound Identification
SMILES
[Br-].COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)[C@@H]1C[C@@H]2CC[N+]1(CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C[C@@H]2C=C
InChIKey
InChIKey=UAYXXJOAAXIPEH-MDSCKNFNSA-M
Formula
C35H47BrN2O2
Mass
607.677
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 Phenylpropanes Anisoles Quinuclidines Benzylamines Phenylmethylamines Alkyl aryl ethers Aralkylamines Pyridines and derivatives Heteroaromatic compounds Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Organic zwitterions Organic bromide salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinchonan-skeleton - Benzylpiperidine - N-benzylpiperidine - 4-quinolinemethanol - Quinoline - Phenylpropane - Quinuclidine - Phenylmethylamine - Phenol ether - Anisole - Benzylamine - Aralkylamine - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Organic salt - Organic oxygen compound - Alcohol - Organic bromide salt - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic zwitterion - Aromatic 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