Compound Identification
SMILES
CCC1CN2C(CC1C(=COC)C(=O)OC)C1NC3=CC=CC=C3C1C(O)C2C#N
InChIKey
InChIKey=KNMRTPTXAJGBLJ-UHFFFAOYSA-N
Formula
C23H29N3O4
Mass
411.502
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Corynanthean-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Corynanthean-type alkaloids
Alternative Parents
Beta carbolines Quinolizidines Quinolizines Indolines Secondary alkylarylamines Aralkylamines Piperidines Benzenoids Methyl esters Enoate esters Vinylogous esters Secondary alcohols Amino acids and derivatives Alpha-aminonitriles Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - Quinolizidine - Quinolizine - Indole or derivatives - Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - Piperidine - Benzenoid - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Alpha-aminonitrile - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as corynanthean-type alkaloids. These are alkaloids with a structure based on the corynanthean nucleus, which is a tetracycle characterized by an indole fused to a quinolizidine. Additionally, the quinolizidine ring system is substituted to a 2-methylpropyl group and one ethyl group.
External Descriptors
Not available