Structure Information
Structure

Compound Identification

SMILES

[H]\C(C)=C1/CN2CC[C@]34C5=CC=CC=C5N=C3[C@@]2([H])C[C@@]1([H])[C@]4(CO)C(=O)OC

InChIKey

InChIKey=XLHUHYFKFFGUFE-TYLHBUMCSA-N

Formula

C21H24N2O3

Mass

352.434

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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 - Akuammilan skeleton - Quinolizidine - 3-alkylindole - Indole or derivatives - Beta-hydroxy acid - Aralkylamine - Hydroxy acid - Piperidine - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Primary alcohol - Hydrocarbon derivative - Imine - Organic oxide - Organopnictogen compound - Alcohol - Amine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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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