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Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(CO)[C@@H]2CC3=C(NC4=CC=CC=C34)[C@@H]3C[C@@H]1\C(CN23)=C\C

InChIKey

InChIKey=RCEFXZXHYFOPIE-XQPIWWOXSA-N

Formula

C21H24N2O3

Mass

352.434

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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 - Pyridoindole - Beta-carboline - 3-alkylindole - Piperidinecarboxylic acid - Indole - Indole or derivatives - Quinuclidine - Beta-hydroxy acid - Aralkylamine - Piperidine - Hydroxy acid - Benzenoid - Heteroaromatic compound - 1,3-aminoalcohol - Pyrrole - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - 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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