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COCONUT Compound

(+)-cis-Sabinol

CNP0397180.4 · C10H16O · View on COCONUT ↗

2D Structure

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Identifiers

Name(+)-cis-Sabinol
IUPAC Name(1~{S},3~{R},5~{S})-1-isopropyl-4-methylene-bicyclo[3.1.0]hexan-3-ol
COCONUT IDCNP0397180.4
CAS471-16-9
InChIKeyMDFQXBNVOAKNAY-BBBLOLIVSA-N
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9-,10+/m1/s1
SMILESC=C1[C@H](O)C[C@]2(C(C)C)C[C@H]12

Properties

Molecular FormulaC10H16O
Molecular Weight152.24
Exact Mass152.12012
Log P (ALogP)1.97
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness3.34

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassMenthane 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
Mentha piperita as “Mentha X piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (27)

  1. 10.1002/CBDV.201300390
  2. 10.1002/FFJ.2730020106
  3. 10.1002/FFJ.2730040206
  4. 10.1007/S11418-007-0175-2
  5. 10.1016/0305-1978(92)90070-T
  6. 10.1016/J.BSE.2010.01.009
  7. 10.1016/S0031-9422(00)82076-2
  8. 10.1017/S0022149X00033812
  9. 10.1017/s0022149x00033812
  10. 10.1021/JF00123A021
  11. 10.1021/NP50008A001
  12. 10.1021/NP50050A051
  13. 10.1055/S-2006-959714
  14. 10.1055/S-2007-969447
  15. 10.1055/S-2007-969948
  16. 10.1080/10412905.1991.9697936
  17. 10.1080/10412905.1993.9698206
  18. 10.1080/10412905.1993.9698215
  19. 10.1080/10412905.1994.9698406
  20. 10.1080/10412905.1994.9698447
  21. 10.1080/10412905.1995.9698479
  22. 10.1080/10412905.1995.9698505
  23. 10.1080/10412905.1995.9700537
  24. 10.1080/10412905.1996.9700559
  25. 10.1080/10412905.2003.9698597
  26. 10.1080/10412905.2010.9700389
  27. 10.3109/13880208709088136

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.