|
Menu

COCONUT Compound

Ferruginol

CNP0201801.2 · C20H30O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameFerruginol
IUPAC Name(4~{b}~{S},8~{a}~{S})-2-isopropyl-4~{b},8,8-trimethyl-5,6,7,8~{a},9,10-hexahydrophenanthren-3-ol
COCONUT IDCNP0201801.2
CAS514-62-5
InChIKeyQXNWVJOHUAQHLM-AZUAARDMSA-N
InChIInChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
SMILESCC(C)C1=CC2=C(C=C1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2

Properties

Molecular FormulaC20H30O
Molecular Weight286.46
Exact Mass286.22967
Log P (ALogP)5.55
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.72
NP-likeness2.35

Classification

NP PathwayTerpenoids
NP SuperclassDiterpenoids
NP ClassAbietane diterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassDiterpenoids

Reported in GR-MAPs Plants

Salvia officinalis as “Salvia officinalis” in COCONUT
Coleus barbatus syn. coleus forskohlii as “Coleus barbatus; Plectranthus barbatus” in COCONUT

References (126)

  1. 10.1002/CHIN.200431150
  2. 10.1002/HLCA.200390214
  3. 10.1002/JCCS.197500043
  4. 10.1002/JCCS.200300022
  5. 10.1002/PTR.2650060508
  6. 10.1002/PTR.2650090810
  7. 10.1007/BF00629881
  8. 10.1007/BF00831355
  9. 10.1016/0031-9422(86)88014-1
  10. 10.1016/0031-9422(89)80294-8
  11. 10.1016/0031-9422(90)83071-8
  12. 10.1016/0031-9422(91)83665-8
  13. 10.1016/0031-9422(91)85075-B
  14. 10.1016/0031-9422(92)83130-Q
  15. 10.1016/0031-9422(92)83131-H
  16. 10.1016/0031-9422(92)83493-I
  17. 10.1016/0031-9422(92)83745-K
  18. 10.1016/0031-9422(93)85043-Q
  19. 10.1016/0031-9422(95)00298-L
  20. 10.1016/0031-9422(95)00358-E
  21. 10.1016/0031-9422(95)00416-5
  22. 10.1016/0031-9422(95)00795-4
  23. 10.1016/0031-9422(96)00248-8
  24. 10.1016/J.BMC.2010.09.035
  25. 10.1016/J.BMC.2011.06.067
  26. 10.1016/J.BMCL.2005.02.057
  27. 10.1016/J.BMCL.2013.10.040
  28. 10.1016/J.FITOTE.2005.03.011
  29. 10.1016/J.LFS.2005.10.018
  30. 10.1016/J.PHYTOCHEM.2005.11.005
  31. 10.1016/J.PHYTOCHEM.2005.12.023
  32. 10.1016/J.PHYTOCHEM.2006.10.001
  33. 10.1016/J.PHYTOCHEM.2010.08.012
  34. 10.1016/J.TET.2011.11.058
  35. 10.1016/S0021-9673(01)88770-7
  36. 10.1016/S0031-9422(00)80268-X
  37. 10.1016/S0031-9422(00)81063-8
  38. 10.1016/S0031-9422(00)81143-7
  39. 10.1016/S0031-9422(00)81178-4
  40. 10.1016/S0031-9422(00)81221-2

Showing 40 of 126. 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.