Compound Identification
SMILES
COC(=O)[C@]1(CO)[C@H]2C[C@@H]3N(C\C2=C/C)C(=O)C[C@@]11C3=NC2=CC=CC=C12
InChIKey
InChIKey=MSXQQUONDXZPCI-FLFRMIROSA-N
Formula
C21H22N2O4
Mass
366.417
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 Quinolizidinones 3-alkylindoles Beta hydroxy acids and derivatives Delta lactams Piperidinones Benzenoids Methyl esters Tertiary carboxylic acid amides Ketimines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Akuammilan skeleton - Quinolizidinone - Quinolizidine - 3-alkylindole - Indole or derivatives - Beta-hydroxy acid - Delta-lactam - Piperidinone - Benzenoid - Hydroxy acid - Piperidine - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketimine - Lactam - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Imine - Organic nitrogen compound - 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