Compound Identification
SMILES
O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)C1=CC=NC2C=CC=CC12.[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=HZOCDDSRFHYCFS-LREZUBLLSA-N
Formula
C34H34ClN5O4
Mass
612.13
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
1,4-benzodiazepines Alpha amino acids and derivatives Hydroquinolines Quinuclidines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Piperidines Secondary carboxylic acid amides Lactams Ketimines Secondary alcohols Trialkylamines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organochlorides
Molecular Framework
Not available
Substituents
Cinchonan-skeleton - Benzodiazepine - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Dihydroquinoline - Nitroaromatic compound - Quinuclidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Ketimine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic salt - Amine - Organic nitrogen compound - Carbonyl group - Alcohol - Imine - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - 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