Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]12CC[C@@]34CC(=O)C5CN(CC=C3)[C@@H]4[C@]15C1=CC=CC=C1N2

InChIKey

InChIKey=YZBXSNMYDYWYJZ-GLAFMBTQSA-N

Formula

C21H22N2O3

Mass

350.418

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Aspidofractine alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Aspidofractine alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aspidofractine skeleton - Alpha-amino acid ester - Carbazole - Indolecarboxylic acid derivative - Indolecarboxylic acid - Alpha-amino acid or derivatives - Dihydroindole - Indole or derivatives - Azepane - Aralkylamine - Secondary aliphatic/aromatic amine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Ketone - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aspidofractine alkaloids. These are alkaloids with a structure that is based on the hexacyclic aspidofractine core. These compounds are related to the Aspidosperma group by formation of a C-2 to C-18 bond.

External Descriptors

Not available

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