Compound Identification
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)C1CC2CC[N+]1(CC1=CC=C(C=C1)C(F)(F)F)CC2C=C
InChIKey
InChIKey=KHTGOHDIOFYLDP-QLCQNLPISA-N
Formula
C28H30F3N2O2
Mass
483.555
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 Trifluoromethylbenzenes Anisoles Quinuclidines Benzylamines Phenylmethylamines Alkyl aryl ethers Aralkylamines Pyridines and derivatives Heteroaromatic compounds Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides Organofluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinchonan-skeleton - N-benzylpiperidine - Benzylpiperidine - 4-quinolinemethanol - Trifluoromethylbenzene - Quinoline - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Quinuclidine - Alkyl aryl ether - Aralkylamine - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Quaternary ammonium salt - Heteroaromatic compound - Tetraalkylammonium salt - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Ether - Aromatic alcohol - Alcohol - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - 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