Structure Information
Structure

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

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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 - 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

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