Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC2=NC(NCCN(CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)=NC(=N2)N2CCOCC2)C=C1

InChIKey

InChIKey=OOJWSNWSBQUFCM-IDVADQQISA-N

Formula

C50H75N7O12

Mass

966.187

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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 - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Secondary aliphatic/aromatic amine - Oxepane - N-aliphatic s-triazine - Monocyclic benzene moiety - Oxane - Benzenoid - Morpholine - 1,2,4-trioxane - Triazine - Oxazinane - 1,3,5-triazine - Heteroaromatic compound - Dialkyl peroxide - Tertiary aliphatic amine - Tertiary amine - Acetal - Ether - Dialkyl ether - Azacycle - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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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