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Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCOC(=O)[C@@H]1[C@H]2C[C@@]3(C)C4=C(C[C@@H]1[N+]3(C)C\C2=C\C)C1=C(N4C)C(OC)=CC=C1

InChIKey

InChIKey=NGDKREMRYFTJEO-JEZQPGECSA-M

Formula

C25H33ClN2O3

Mass

445.0

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Macroline alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Macroline alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Macroline skeleton - Sarpagine-skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - N-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Piperidine - Substituted pyrrole - Benzenoid - N-methylpyrrole - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic chloride salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as macroline alkaloids. These are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids.

External Descriptors

Not available

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