Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1C2CC3N(CCC11C3=NC3=CC=CC=C13)C\C2=C/CO

InChIKey

InChIKey=ROSYVIVZXGKTLK-WUXMJOGZSA-N

Formula

C20H22N2O3

Mass

338.407

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Akuammilan and related alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Akuammilan and related alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as akuammilan and related alkaloids. These are alkaloids with a structure based on either the akuammilan skeleton. The ring system in this group is formed from a precursor of the corynantheine type by bond formation between C-16 and C-7. Variations in this subgroup include, among others, alkaloids derived by C-3 to N-4 bond fission, as well as alkaloids in which the N-4 to C-5 bond in the Akuammiline skeleton has been severed.

External Descriptors

Not available

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