Compound Identification
SMILES
OC(=O)C(O)=O.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=ARRXZRAAWMLSQU-GDYCEJCDSA-N
Formula
C52H77N7O16
Mass
1056.221
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
Methoxyanilines Dialkylarylamines Anisoles Phenoxy compounds Methoxybenzenes Secondary alkylarylamines Oxepanes N-aliphatic s-triazines Alkyl aryl ethers Morpholines Trioxanes Dicarboxylic acids and derivatives 1,3,5-triazines Oxanes Heteroaromatic compounds Dialkyl peroxides Trialkylamines Oxacyclic compounds Acetals Azacyclic compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Not available
Substituents
Artemisinin skeleton - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Oxepane - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Dicarboxylic acid or derivatives - Morpholine - Monocyclic benzene moiety - Oxane - Oxazinane - 1,3,5-triazine - Triazine - 1,2,4-trioxane - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Dialkyl peroxide - Acetal - Ether - Carboxylic acid - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Amine - Organic nitrogen 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