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COCONUT Compound

Sabinene hydrate

CNP0243755.6 · C10H18O · View on COCONUT ↗

2D Structure

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Identifiers

NameSabinene hydrate
IUPAC Name(1~{S},2~{R},5~{R})-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-2-ol
COCONUT IDCNP0243755.6
InChIKeyKXSDPILWMGFJMM-OPRDCNLKSA-N
InChIInChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
SMILESCC(C)[C@]12CC[C@@](C)(O)[C@H]1C2

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.19
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.61
NP-likeness3.08

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassThujane monoterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT

References (43)

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  6. 10.1002/HLCA.19630460506
  7. 10.1002/ffj.1368
  8. 10.1007/BF00574326
  9. 10.1007/BF00579987
  10. 10.1007/BF00600857
  11. 10.1007/BF00600858
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  13. 10.1016/0031-9422(94)85021-6
  14. 10.1016/J.FOODRES.2012.03.015
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  19. 10.1016/S0031-9422(02)00038-9
  20. 10.1016/S0031-9422(02)00396-5
  21. 10.1016/S0031-9422(97)00117-9
  22. 10.1016/S0926-6690(03)00076-1
  23. 10.1021/JO040272A
  24. 10.1021/NP030475E
  25. 10.1055/S-2004-827162
  26. 10.1055/S-2006-961490
  27. 10.1080/0972060X.2013.813219
  28. 10.1080/10412905.1991.9697923
  29. 10.1080/10412905.1991.9697971
  30. 10.1080/10412905.1991.9697982
  31. 10.1080/10412905.1991.9697994
  32. 10.1080/10412905.1992.9698035
  33. 10.1080/10412905.1993.9698169
  34. 10.1080/10412905.1993.9698205
  35. 10.1080/10412905.1993.9698222
  36. 10.1080/10412905.1993.9698253
  37. 10.1080/10412905.1995.9700530
  38. 10.1080/10412905.1998.9700962
  39. 10.1080/10412905.2012.747271
  40. 10.1177/1934578X0800301225

Showing 40 of 43. See all references on COCONUT.

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.