Summary

IMPPAT Phytochemical identifier: IMPHY007168

Phytochemical name: Artemisinin

Synonymous chemical names:
arteannuin, artemisinin, qinghaosu

External chemical identifiers:
CID:68827, ChEMBL:CHEMBL269671, ChEBI:223316, ZINC:ZINC000008143788, FDASRS:9RMU91N5K2, SureChEMBL:SCHEMBL60304, MolPort-006-069-257

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Chemical structure information

SMILES:
O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3

InChI:
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1

InChIKey:
BLUAFEHZUWYNDE-NNWCWBAJSA-N

DeepSMILES:
O=CO[C@@H]O[C@@]C)CC[C@@H][C@]7[C@H][C@H]%11C))CC[C@H]6C)))))OO7

Functional groups:
C[C@@]1(C)OOC[C@H](OC(C)=O)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC3CCC4OOC32C(O1)O4

Scaffold Graph/Node level:
OC1CC2CCCC3CCC4OOC32C(O1)O4

Scaffold Graph level:
CC1CC2CCCC3CCC4CCC32C(C1)C4

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Arteminisin

NP-Likeness score: 3.839

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Chemical structure download