Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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