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COCONUT Compound

Artemorin

CNP0227192.1 · C15H20O3 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameArtemorin
IUPAC Name(3~{a}~{S},7~{R},10~{E},11~{a}~{R})-7-hydroxy-10-methyl-3,6-dimethylene-4,5,7,8,9,11~{a}-hexahydro-3~{a}~{H}-cyclodeca[b]furan-2-one
COCONUT IDCNP0227192.1
CAS64845-92-7
InChIKeyJNHKVMWTQCZYHK-CVZWCJCVSA-N
InChIInChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1
SMILESC=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O

Properties

Molecular FormulaC15H20O3
Molecular Weight248.32
Exact Mass248.14124
Log P (ALogP)2.52
TPSA46.53
H-Bond Donors / Acceptors1 / 3
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.41
NP-likeness3.52

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassGermacrane sesquiterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassTerpene lactones

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT
Tanacetum cinerariifolium as “Tanacetum cinerariifolium (Trevir.) Sch. Bip.” in COCONUT

References (20)

  1. 10.1002/9780470744307.gat218
  2. 10.1002/biuz.19840140514
  3. 10.1002/food.19880321030
  4. 10.1002/ptr.2650090202
  5. 10.1016/0031-9422(79)80167-3
  6. 10.1016/0031-9422(82)85253-9
  7. 10.1016/0031-9422(93)85032-M
  8. 10.1016/0031-9422(96)00142-2
  9. 10.1016/S0031-9422(00)81231-5
  10. 10.1016/S0031-9422(00)82424-3
  11. 10.1016/S0031-9422(00)83588-8
  12. 10.1016/S0031-9422(00)83607-9
  13. 10.1016/S0031-9422(00)85743-X
  14. 10.1016/S0031-9422(00)90845-8
  15. 10.1016/S0031-9422(00)95017-9
  16. 10.1016/S0031-9422(00)97936-6
  17. 10.1021/JO01336A041
  18. 10.1021/NP020390Y
  19. 10.1021/NP800468M
  20. 10.1248/CPB.54.1187

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.