Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNC(=O)[C@H](CCC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4

InChIKey

InChIKey=VBBIBEOAOMEZFV-ALJZUYRKSA-N

Formula

C34H50N2O9

Mass

630.779

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Artemisinins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Artemisinin skeleton - Glutamic acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Fatty acid ester - Oxepane - Fatty amide - N-acyl-amine - Monocyclic benzene moiety - Oxane - 1,2,4-trioxane - Benzenoid - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Dialkyl peroxide - Secondary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as artemisinins. These are sesquiterpenoids originally isolated from the herb Artemisia annua. Their structure is based on artemisinin, a tetracyclic compound that contains a 1,2-dioxepane fused to an octahydrobenzopyran moiety. The internal peroxide bridge is believed to be a key to the mode of action of artemisinins.

External Descriptors

Not available

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