Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]12[C@@H]3CC4([C@@H](NC5=CC=CC=C45)C4C[C@H]1\C(CN34)=C\C)C2=O

InChIKey

InChIKey=CPDGFAJFDAOTHV-YABVUJTLSA-N

Formula

C21H22N2O3

Mass

350.418

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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 - Quinolizidine - Indole or derivatives - Dihydroindole - Piperidinecarboxylic acid - Quinuclidine - Azepane - Aralkylamine - Secondary aliphatic/aromatic amine - Piperidine - Benzenoid - Methyl ester - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Ketone - Secondary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen 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

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