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COCONUT Compound

19894-98-5

CNP0406108.4 · C10H16O · View on COCONUT ↗

2D Structure

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Identifiers

Name19894-98-5
IUPAC Name(1~{R},3~{S},5~{R})-6,6-dimethyl-2-methylene-norpinan-3-ol
COCONUT IDCNP0406108.4
CAS19894-98-5
InChIKeyLCYXQUJDODZYIJ-VGMNWLOBSA-N
InChIInChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m1/s1
SMILESC=C1[C@@H](O)C[C@H]2C[C@@H]1C2(C)C

Properties

Molecular FormulaC10H16O
Molecular Weight152.24
Exact Mass152.12012
Log P (ALogP)1.97
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.53
NP-likeness3.13

Classification

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

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia Annua; Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT

References (100)

  1. 10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
  2. 10.1002/(sici)1099-1026(199605)11:3<145::aid-ffj565>3.0.co;2-o
  3. 10.1002/CBDV.201300390
  4. 10.1002/FFJ.2730070603
  5. 10.1002/FFJ.2730090107
  6. 10.1002/FFJ.2730090305
  7. 10.1002/FFJ.2730100313
  8. 10.1002/FFJ.2730100605
  9. 10.1002/FFJ.2730100609
  10. 10.1007/BF00367933
  11. 10.1007/BF00568368
  12. 10.1007/BF00581596
  13. 10.1007/S11418-007-0175-2
  14. 10.1016/0031-9422(83)85052-3
  15. 10.1016/0031-9422(88)84106-2
  16. 10.1016/0031-9422(91)83632-U
  17. 10.1016/0031-9422(92)83136-M
  18. 10.1016/0031-9422(95)00183-8
  19. 10.1016/0031-9422(95)00601-X
  20. 10.1016/0040-4039(95)00152-3
  21. 10.1016/0305-1978(92)90070-T
  22. 10.1016/0305-1978(96)00023-3
  23. 10.1016/0378-8741(91)90062-I
  24. 10.1016/J.ARABJC.2012.04.042
  25. 10.1016/J.BSE.2003.12.009
  26. 10.1016/J.BSE.2010.01.009
  27. 10.1016/J.FITOTE.2007.11.004
  28. 10.1016/J.PHYMED.2007.03.013
  29. 10.1016/J.PHYTOCHEM.2003.08.004
  30. 10.1016/J.PHYTOCHEM.2005.10.025
  31. 10.1016/J.PHYTOCHEM.2009.06.013
  32. 10.1016/S0021-9673(01)95036-8
  33. 10.1016/S0031-9422(00)80558-0
  34. 10.1016/S0031-9422(00)81692-1
  35. 10.1016/S0031-9422(00)84088-1
  36. 10.1016/S0031-9422(00)84508-2
  37. 10.1016/S0031-9422(00)94539-4
  38. 10.1016/S0031-9422(02)00004-3
  39. 10.1016/S0367-326X(03)00195-3
  40. 10.1016/j.fitote.2007.11.004

Showing 40 of 100. 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.