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
Taxonomic Classification
Taxonomy Tree
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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
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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
Methoxyanilines Anisoles Phenoxy compounds Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Secondary alkylarylamines Oxepanes N-aliphatic s-triazines 1,3,5-triazines Trioxanes Oxanes Morpholines Heteroaromatic compounds Dialkyl peroxides Trialkylamines Acetals Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds
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