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COCONUT Compound

(-)-Globulol

CNP0210398.13 · C15H26O · View on COCONUT ↗

2D Structure

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Identifiers

Name(-)-Globulol
IUPAC Name(1~{a}~{R},4~{R},4~{a}~{R},7~{R},7~{a}~{S},7~{b}~{S})-1,1,4,7-tetramethyl-2,3,4~{a},5,6,7,7~{a},7~{b}-octahydro-1~{a}~{H}-cyclopropa[e]azulen-4-ol
COCONUT IDCNP0210398.13
CAS489-41-8
InChIKeyAYXPYQRXGNDJFU-QTPLKFIXSA-N
InChIInChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,15-/m1/s1
SMILESC[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C

Properties

Molecular FormulaC15H26O
Molecular Weight222.37
Exact Mass222.19837
Log P (ALogP)3.47
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.67
NP-likeness3.13

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassAromadendrane sesquiterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassSesquiterpenoids

Reported in GR-MAPs Plants

Murraya koenigii as “Murraya koenigii” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT

References (107)

  1. 10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
  2. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  3. 10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
  4. 10.1002/(SICI)1099-1573(199702)11:1<67::AID-PTR29>3.0.CO;2-I
  5. 10.1002/FFJ.2730050210
  6. 10.1002/FFJ.2730060408
  7. 10.1002/FFJ.2730090203
  8. 10.1002/FFJ.2730090305
  9. 10.1002/FFJ.2730100203
  10. 10.1002/FFJ.2730100310
  11. 10.1002/FFJ.2730100605
  12. 10.1002/FFJ.2730100609
  13. 10.1002/FFJ.998
  14. 10.1002/RCM.1290091307
  15. 10.1007/BF02269705
  16. 10.1016/0031-9422(89)80388-7
  17. 10.1016/0031-9422(90)85269-L
  18. 10.1016/0031-9422(91)83064-R
  19. 10.1016/0031-9422(92)80396-V
  20. 10.1016/0305-1978(94)90116-3
  21. 10.1016/0305-1978(96)00023-3
  22. 10.1016/J.JEP.2012.10.010
  23. 10.1016/J.PHYTOCHEM.2003.08.004
  24. 10.1016/J.TET.2004.08.027
  25. 10.1016/S0003-2670(01)01307-1
  26. 10.1016/S0031-9422(00)00407-6
  27. 10.1016/S0031-9422(00)81286-8
  28. 10.1016/S0031-9422(01)00018-8
  29. 10.1016/S0031-9422(01)00322-3
  30. 10.1016/S0031-9422(02)00207-8
  31. 10.1016/S0031-9422(96)00559-6
  32. 10.1016/S0031-9422(96)00691-7
  33. 10.1016/S0031-9422(97)00324-5
  34. 10.1016/S0031-9422(97)00400-7
  35. 10.1016/S0031-9422(97)00414-7
  36. 10.1016/S0031-9422(97)00762-0
  37. 10.1016/S0031-9422(97)00795-4
  38. 10.1016/S0031-9422(99)00050-3
  39. 10.1016/S0031-9422(99)00123-5
  40. 10.1016/S0031-9422(99)00383-0

Showing 40 of 107. 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.