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COCONUT Compound

(+)-Borneol

CNP0259481.3 · C10H18O · View on COCONUT ↗

2D Structure

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Identifiers

Name(+)-Borneol
IUPAC Name(1~{R},2~{S},4~{R})-1,7,7-trimethylnorbornan-2-ol
COCONUT IDCNP0259481.3
CAS464-43-7, 507-70-0, 124-76-5
InChIKeyDTGKSKDOIYIVQL-WEDXCCLWSA-N
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.19
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness2.54

Classification

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

Reported in GR-MAPs Plants

Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Valeriana jatamansi as “Valeriana jatamansi” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT

References (37)

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  9. 10.1016/0003-9861(90)90593-N
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  15. 10.1016/J.PHYTOCHEM.2019.112227
  16. 10.1016/S0031-9422(00)80081-3
  17. 10.1016/S0031-9422(00)80325-8
  18. 10.1016/S0031-9422(00)82205-0
  19. 10.1016/S0031-9422(00)90710-6
  20. 10.1021/JF00083A001
  21. 10.1021/JF0210369
  22. 10.1021/NP50001A004
  23. 10.1021/np50017a019
  24. 10.1039/J39690000541
  25. 10.1055/S-0028-1097609
  26. 10.1055/S-0028-1097719
  27. 10.1055/S-0028-1097815
  28. 10.1055/S-0028-1097956
  29. 10.1055/S-0028-1097962
  30. 10.1055/S-0028-1099422
  31. 10.1055/S-0028-1099455
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  34. 10.1055/S-2006-957433
  35. 10.1055/S-2006-961434
  36. 10.1248/YAKUSHI1947.90.11_1367
  37. 10.4103/0973-7847.65327

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.