Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](CC1=CN2C[C@@H]3[C@H](C)OC=C([C@H]3CC2=C2N=C3C=CC=CC3=C12)C(=O)OC)[C@H]1C[C@@H]2N(CCC3=C2NC2=CC=CC=C32)C\C1=C\C

InChIKey

InChIKey=QWAUBSSAJRGKPX-XKMAVODYSA-N

Formula

C42H44N4O5

Mass

684.837

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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 - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Pyridine - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Pyrrole - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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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