Compound Identification
SMILES
COC(=O)C(CO)[C@H]1C[C@H]2N(CCC3=C2NC2=CC=CC=C32)C=C1C(C)=O
InChIKey
InChIKey=IWXZLQVOMLCWQY-APROBQCTSA-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
Beta carbolines 3-alkylindoles Quinolizines Tetrahydropyridines Aralkylamines Beta hydroxy acids and derivatives Benzenoids Vinylogous amides Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Ketones Monocarboxylic acids and derivatives Azacyclic compounds Enamines Allylamines Organic oxides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Quinolizine - Indole - Indole or derivatives - Beta-hydroxy acid - Aralkylamine - Tetrahydropyridine - Hydroxy acid - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Methyl ester - Amino acid or derivatives - Ketone - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Enamine - Allylamine - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Amine - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen 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