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COCONUT Compound

(+)-alpha-Terpineol

CNP0311257.1 · C10H18O · View on COCONUT ↗

2D Structure

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Identifiers

Name(+)-alpha-Terpineol
IUPAC Name2-[(1~{R})-4-methylcyclohex-3-en-1-yl]propan-2-ol
COCONUT IDCNP0311257.1
CAS7785-53-7
InChIKeyWUOACPNHFRMFPN-VIFPVBQESA-N
InChIInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
SMILESCC1=CC[C@H](C(C)(C)O)CC1

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.50
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.58
NP-likeness2.44

Classification

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

Reported in GR-MAPs Plants

Catharanthus roseus as “Catharanthus roseus” in COCONUT
Zingiber zerumbet as “Zingiber zerumbet” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT

References (58)

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  2. 10.1002/CBER.189903201156
  3. 10.1002/JPS.3080191008
  4. 10.1002/JPS.3080200111
  5. 10.1002/JSFA.4146
  6. 10.1002/RECL.19390580805
  7. 10.1007/BF00565149
  8. 10.1007/BF00576230
  9. 10.1007/BF00579141
  10. 10.1007/BF00579167
  11. 10.1007/BF00579447
  12. 10.1007/BF00579987
  13. 10.1007/BF00580068
  14. 10.1007/BF00581596
  15. 10.1007/BF00638774
  16. 10.1016/0031-9422(88)83114-5
  17. 10.1016/0031-9422(89)80225-0
  18. 10.1016/0031-9422(89)80388-7
  19. 10.1016/J.INDCROP.2013.06.023
  20. 10.1016/S0031-9422(00)80081-3
  21. 10.1016/S0031-9422(00)80325-8
  22. 10.1016/S0031-9422(00)81969-X
  23. 10.1016/S0031-9422(00)82147-0
  24. 10.1016/S0031-9422(00)84047-9
  25. 10.1016/S0031-9422(00)84184-9
  26. 10.1016/S0031-9422(97)00117-9
  27. 10.1016/S0031-9422(99)00346-5
  28. 10.1016/S1875-5364(16)60004-3
  29. 10.1021/JA0265714
  30. 10.1021/JF00034A020
  31. 10.1021/NP980313W
  32. 10.1021/jf070524j
  33. 10.1039/CT9028100059
  34. 10.1055/S-0028-1097609
  35. 10.1055/S-0028-1097637
  36. 10.1055/S-0028-1097719
  37. 10.1055/S-0028-1097815
  38. 10.1055/S-0028-1099413
  39. 10.1055/S-0028-1099422
  40. 10.1055/S-0028-1099434

Showing 40 of 58. 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.