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Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12CC[C@]34C=CC(=O)N5CC(CC3=O)[C@]1([C@@H]45)C1=CC=CC=C1N2

InChIKey

InChIKey=JWJHMYMFIHHXLU-AAKQKBRMSA-N

Formula

C21H20N2O4

Mass

364.401

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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 - Indolecarboxylic acid derivative - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Azepane - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen 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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