Structure Information
Structure

Compound Identification

SMILES

CC[C@@H]1[C@@H](C[C@H]2N(CCC3=C2N(CC2=CC=CC=C2)C2=CC=CC=C32)C1=S)C(C(=O)OC)C(=O)OC

InChIKey

InChIKey=ZEWHEKBAEZWHSY-ZFJSRUIDSA-N

Formula

C29H32N2O4S

Mass

504.65

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