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COCONUT Compound

(-)-Borneol

CNP0259481.4 · C10H18O · View on COCONUT ↗

2D Structure

Identifiers

Name(-)-Borneol
IUPAC Name(1~{S},2~{R},4~{S})-1,7,7-trimethylnorbornan-2-ol
COCONUT IDCNP0259481.4
CAS464-45-9, 507-70-0
InChIKeyDTGKSKDOIYIVQL-QXFUBDJGSA-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+/m0/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

Ocimum basilicum as “Ocimum basilicum” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Valeriana jatamansi as “Valeriana jatamansi” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Cinnamomum verum as “Cinnamomum verum” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT

References (20)

  1. 10.1002/(sici)1099-1026(199909/10)14:5<322::aid-ffj837>3.0.co;2-4
  2. 10.1002/ARDP.18932310502
  3. 10.1002/CJOC.201180379
  4. 10.1002/JSSC.200900378
  5. 10.1007/BF00576230
  6. 10.1007/BF00579141
  7. 10.1007/BF00600860
  8. 10.1007/BF00638774
  9. 10.1007/s10886-010-9846-7
  10. 10.1016/0003-9861(87)90346-8
  11. 10.1016/0003-9861(92)90173-T
  12. 10.1016/0031-9422(81)80025-8
  13. 10.1016/0031-9422(93)85157-M
  14. 10.1016/J.FITOTE.2003.12.019
  15. 10.1016/S0031-9422(97)00671-7
  16. 10.1016/S0031-9422(98)00022-3
  17. 10.1016/S0040-4020(01)00451-3
  18. 10.1021/jf070524j
  19. 10.1080/10412905.1989.9697769
  20. 10.3891/ACTA.CHEM.SCAND.21-2076

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.