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COCONUT Compound

Ledol

CNP0210398.15 · C15H26O · View on COCONUT ↗

2D Structure

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Identifiers

NameLedol
IUPAC Name(1~{a}~{R},4~{R},4~{a}~{S},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 IDCNP0210398.15
CAS577-27-5
InChIKeyAYXPYQRXGNDJFU-AOWZIMASSA-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

Ajuga chamaepitys as “Ajuga chamaepitys” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (69)

  1. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  2. 10.1002/(SICI)1099-1573(1998)12:1+<S117::AID-PTR269>3.0.CO;2-2
  3. 10.1002/CBDV.201000034
  4. 10.1002/FFJ.2730070109
  5. 10.1002/FFJ.2730080104
  6. 10.1002/JCCS.199900029
  7. 10.1007/BF00565890
  8. 10.1007/BF00629951
  9. 10.1007/BF00630335
  10. 10.1007/BF00937609
  11. 10.1007/BF01134621
  12. 10.1007/BF01386197
  13. 10.1007/BF02276130
  14. 10.1016/0031-9422(89)80195-5
  15. 10.1016/0031-9422(89)80285-7
  16. 10.1016/0031-9422(96)00370-6
  17. 10.1016/J.APJTM.2016.06.009
  18. 10.1016/J.ARABJC.2012.04.042
  19. 10.1016/J.BSE.2003.12.009
  20. 10.1016/J.FITOTE.2006.01.013
  21. 10.1016/J.PHYTOCHEM.2011.09.002
  22. 10.1016/S0003-2670(01)01307-1
  23. 10.1016/S0031-9422(00)00291-0
  24. 10.1016/S0031-9422(00)00302-2
  25. 10.1016/S0031-9422(00)81286-8
  26. 10.1016/S0031-9422(00)81508-3
  27. 10.1016/S0031-9422(00)90514-4
  28. 10.1016/S0031-9422(00)97891-9
  29. 10.1016/S0031-9422(00)97892-0
  30. 10.1016/S0031-9422(02)00207-8
  31. 10.1016/S0031-9422(96)00709-1
  32. 10.1016/S0031-9422(96)00718-2
  33. 10.1016/S0031-9422(97)00117-9
  34. 10.1016/S0031-9422(99)00123-5
  35. 10.1016/S0031-9422(99)00601-9
  36. 10.1016/S0031-9422(99)00609-3
  37. 10.1021/JF00039A035
  38. 10.1021/JF00118A056
  39. 10.1021/JF0116303
  40. 10.1021/JF0615653

Showing 40 of 69. 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.