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COCONUT Compound

Artabsinolide B

CNP0377870.3 · C15H20O5 · View on COCONUT ↗

2D Structure

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Identifiers

NameArtabsinolide B
IUPAC Name(3~{S},3~{a}~{S},6~{S},9~{S},9~{b}~{S})-6,9-dihydroxy-3,6,9-trimethyl-3,3~{a},4,5,8,9~{b}-hexahydroazuleno[4,5-b]furan-2,7-dione
COCONUT IDCNP0377870.3
CAS76564-29-9
InChIKeyZSOYDVICJGNUTP-SJXQVPPFSA-N
InChIInChI=1S/C15H20O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-8,12,18-19H,4-6H2,1-3H3/t7-,8-,12-,14-,15-/m0/s1
SMILESC[C@@H]1C(=O)O[C@@H]2C3=C(C(=O)C[C@]3(C)O)[C@@](C)(O)CC[C@@H]12

Properties

Molecular FormulaC15H20O5
Molecular Weight280.32
Exact Mass280.13107
Log P (ALogP)0.73
TPSA83.83
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.64
NP-likeness2.75

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassGuaiane sesquiterpenoids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassLactones
Chemical SubclassGamma butyrolactones

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT

References (8)

  1. 10.1002/biuz.19840140514
  2. 10.1002/food.19880321030
  3. 10.1016/0031-9422(79)80167-3
  4. 10.1016/S0031-9422(00)81536-8
  5. 10.1021/NP000005+
  6. 10.1039/P19820000861
  7. 10.1039/p19820000861
  8. 10.21608/BFSA.1988.73495

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.