Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1CN2CCC3=C([C@H]2C[C@@H]1C(C(=O)OC)C(=O)OC)N(CC1=CC=CC=C1)C1=CC=CC=C31

InChIKey

InChIKey=NJQXQCNDYYBBGK-GRYUFTJMSA-N

Formula

C29H34N2O4

Mass

474.601

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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 - Quinolizine - 3-alkylindole - N-alkylindole - Indole - Indole or derivatives - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Substituted pyrrole - 1,3-dicarbonyl compound - Benzenoid - Methyl ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Amine - 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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