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Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(CO)[C@H]2C[C@H]3C4=C(C[C@@H]1[N+]3(C)C\C2=C\C)C1=CC=CC=C1N4

InChIKey

InChIKey=HOIYLJHQHXMJGO-ISOAVKOPSA-N

Formula

C22H27N2O3

Mass

367.468

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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 - Corynanthean skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Beta-hydroxy acid - Aralkylamine - Hydroxy acid - Piperidine - Benzenoid - Tetraalkylammonium salt - 1,3-aminoalcohol - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - 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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