Compound Identification
SMILES
COC(=O)[C@@]1(CO)[C@H]2C[C@H]3N(CC[C@@]11C3=NC3=C1C=C(OC)C=C3)C\C2=C\C
InChIKey
InChIKey=JBFBTBFJYNNYPW-ALRHJGPQSA-N
Formula
C22H26N2O4
Mass
382.46
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 Quinolizidines 3-alkylindoles Anisoles Alkyl aryl ethers Beta hydroxy acids and derivatives Aralkylamines Piperidines Methyl esters Trialkylamines Ketimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Akuammilan skeleton - Quinolizidine - 3-alkylindole - Indole or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Beta-hydroxy acid - Aralkylamine - Piperidine - Benzenoid - Hydroxy acid - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Ketimine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Imine - Primary alcohol - Organooxygen compound - Organonitrogen 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