Compound Identification
SMILES
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)NC3=CC(=CC=C3)[S@](C)=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
InChIKey
InChIKey=PKBIJBJKFNUHDW-XRWGMKSCSA-N
Formula
C25H35NO6S
Mass
477.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Sesquiterpenoids
- Level 5 Artemisinins
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Subclass
Sesquiterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Artemisinins
Alternative Parents
Anilides Phenyl sulfoxides N-arylamides Oxepanes Trioxanes Fatty amides Oxanes Sulfoxides Dialkyl peroxides Secondary carboxylic acid amides Sulfinyl compounds Acetals Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Artemisinin skeleton - Phenyl sulfoxide - Anilide - N-arylamide - Oxepane - Monocyclic benzene moiety - Fatty amide - Oxane - 1,2,4-trioxane - Benzenoid - Fatty acyl - Dialkyl peroxide - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - 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