Compound Identification
SMILES
COC(=O)C1(CO)C2CC3N(CCC11C3=NC3=CC=CC=C13)CC2=CC
InChIKey
InChIKey=XLHUHYFKFFGUFE-UHFFFAOYSA-N
Formula
C21H24N2O3
Mass
352.434
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 Aralkylamines Beta hydroxy acids and derivatives Piperidines Benzenoids Methyl esters Trialkylamines Amino acids and derivatives Ketimines Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Primary alcohols Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Akuammilan skeleton - Quinolizidine - 3-alkylindole - Indole or derivatives - Beta-hydroxy acid - Aralkylamine - Hydroxy acid - Piperidine - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Imine - Hydrocarbon derivative - Organic oxide - Alcohol - Amine - Carbonyl group - Organic oxygen compound - Primary alcohol - Organonitrogen compound - Organic nitrogen compound - 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