Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CC[C@H]2C(CN3CCN(CCO[C@]4(C)C[C@@H]5CC[C@@H](C)C6CC[C@]7(C)OO[C@@]56[C@H](O4)O7)CC3)=C(O[C@@H]3O[C@@]4(C)CCC1[C@@]23O4)C(F)(F)F

InChIKey

InChIKey=FECLSCNMLGMKIT-GRXFCOSBSA-N

Formula

C37H55F3N2O8

Mass

712.848

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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

Aliphatic heteropolycyclic compounds

Substituents

Artemisinin skeleton - Dioxolopyran - Oxepane - Ketal - N-alkylpiperazine - 1,4-diazinane - Oxane - Piperazine - 1,2,4-trioxane - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Dialkyl peroxide - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Organopnictogen compound - Alkyl fluoride - Aliphatic 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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