Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1[C@H]2C[C@H]3C4=C(CC1[N+]3(C)C\C2=C/C)C1=CC=CC=C1N4

InChIKey

InChIKey=LWHAHEISHKQTOC-GDPKVTBESA-N

Formula

C21H25N2O2

Mass

337.442

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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 - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Aralkylamine - Piperidine - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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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