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Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12CC[C@@]34CC(=O)C5CN(CC[C@@H]3O)[C@H]4[C@]15C1=C(N2)C(OC)=CC=C1

InChIKey

InChIKey=PDLXHJKOGWFHQV-XGWSDTLFSA-N

Formula

C22H26N2O5

Mass

398.459

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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 - Aspidosperma alkaloid - Carbazole - Alpha-amino acid ester - Indolecarboxylic acid - Indolecarboxylic acid derivative - Alpha-amino acid or derivatives - Quinolidine - Indole or derivatives - Dihydroindole - Indolizidine - Phenol ether - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Azepane - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Piperidine - Methyl ester - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Ketone - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen 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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