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COCONUT Compound

(1R)-endo-(+)-Fenchyl alcohol

CNP0140485.7 · C10H18O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(1R)-endo-(+)-Fenchyl alcohol
IUPAC Name(1~{R},2~{R},4~{S})-1,3,3-trimethylnorbornan-2-ol
COCONUT IDCNP0140485.7
CAS2217-02-9, 14575-74-7
InChIKeyIAIHUHQCLTYTSF-OYNCUSHFSA-N
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O

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-likeness2.68

Classification

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

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (22)

  1. 10.1002/(sici)1099-1026(199909/10)14:5<322::aid-ffj837>3.0.co;2-4
  2. 10.1002/ffj.1026
  3. 10.1016/0031-9422(90)85421-B
  4. 10.1016/j.phytochem.2004.08.035
  5. 10.1021/JF00034A033
  6. 10.1021/NP50008A001
  7. 10.1021/NP50094A002
  8. 10.1055/S-2008-1074841
  9. 10.1080/10286020802514622
  10. 10.1080/10412905.1991.9697980
  11. 10.1080/10412905.1991.9700498
  12. 10.1080/10412905.1992.9698059
  13. 10.1080/10412905.1992.9698084
  14. 10.1080/10412905.1992.9698112
  15. 10.1080/10412905.1993.9698207
  16. 10.1080/10412905.1993.9698235
  17. 10.1080/10412905.1994.9698417
  18. 10.1080/10412905.1994.9698433
  19. 10.1080/10412905.1995.9698514
  20. 10.1271/BBB1961.45.1493
  21. 10.1271/BBB1961.47.1841
  22. 10.1673/031.011.16501

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.