Summary

IMPPAT Phytochemical identifier: IMPHY003912

Phytochemical name: Artemisin

Synonymous chemical names:
7-hydroxysantonin (artemisin), alpha-hydroxysantonin, artemisin

External chemical identifiers:
CID:65030, ChEMBL:CHEMBL158124, ChEBI:2852, FDASRS:Y1R67R7XWU, SureChEMBL:SCHEMBL83537

---

Chemical structure information

SMILES:
O[C@H]1C[C@@]2(C)C=CC(=O)C(=C2[C@@H]2[C@@H]1[C@H](C)C(=O)O2)C

InChI:
InChI=1S/C15H18O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h4-5,8,10-11,13,17H,6H2,1-3H3/t8-,10-,11+,13-,15+/m0/s1

InChIKey:
LUHMMHZLDLBAKX-DBIGVJDZSA-N

DeepSMILES:
O[C@H]C[C@@]C)C=CC=O)C=C6[C@@H][C@@H]%10[C@H]C)C=O)O5))))))C

Functional groups:
CC1=C(C)CC=CC1=O, CO, COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CCC3CC(=O)OC3C2=C1

Scaffold Graph/Node level:
OC1CCC2CCC3CC(O)OC3C2C1

Scaffold Graph level:
CC1CCC2CCC3CC(C)CC3C2C1

---

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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.145

---

Chemical structure download