Compound Identification
SMILES
COC(=O)[C@@]1(CO)[C@H]2C[C@H]3C4=NC5=CC=CC=C5[C@@]14CC[N+]3([O-])C\C2=C\C
InChIKey
InChIKey=HRARARDBRKOTJJ-OBKPBRGMSA-N
Formula
C21H24N2O4
Mass
368.433
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
Akuammilan and related alkaloids 3-alkylindoles Quinolizidines Beta hydroxy acids and derivatives Benzenoids Piperidines Methyl esters Trialkyl amine oxides Ketimines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Trisubstituted amine oxides and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Akuammilan skeleton - Quinolizidine - 3-alkylindole - Indole or derivatives - Beta-hydroxy acid - Hydroxy acid - Piperidine - Benzenoid - Trialkyl amine oxide - Methyl ester - Carboxylic acid ester - Ketimine - N-oxide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Trisubstituted n-oxide - Organic salt - Imine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Alcohol - Organic oxide - Organic zwitterion - 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