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COCONUT Compound

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-

CNP0241588.7 · C15H26O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
IUPAC Name(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
COCONUT IDCNP0241588.7
CAS3790-78-1, CAS-3790-78-1
InChIKeyFQTLCLSUCSAZDY-KAMYIIQDSA-N
InChIInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-
SMILESC=CC(C)(O)CC/C=C(/C)CCC=C(C)C

Properties

Molecular FormulaC15H26O
Molecular Weight222.37
Exact Mass222.19837
Log P (ALogP)4.40
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds7
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.63
NP-likeness2.92

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassAcyclic monoterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Acorus calamus as “Acorus calamus” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT

References (37)

  1. 10.1002/(SICI)1099-1026(199609)11:5<265::AID-FFJ592>3.0.CO;2-F
  2. 10.1002/1099-1573%28200006%2914:4%3C284::AID-PTR599%3E3.0.CO;2-Y/epdf
  3. 10.1002/1099-1573(200006)14:4<284::AID-PTR599>3.0.CO;2-Y
  4. 10.1002/FFJ.1350
  5. 10.1002/FFJ.2730010304
  6. 10.1002/FFJ.2730060109
  7. 10.1002/FFJ.2730080504
  8. 10.1002/ffj.1350
  9. 10.1016/0031-9422(88)80461-8
  10. 10.1016/0031-9422(95)00522-9
  11. 10.1016/0378-8741(91)90063-J
  12. 10.1016/S0031-9422(00)81225-X
  13. 10.1016/S0031-9422(96)00691-7
  14. 10.1016/S0367-326X(98)00016-1
  15. 10.1055/S-2006-957810
  16. 10.1055/S-2006-959580
  17. 10.1080/10412905.1989.9697751
  18. 10.1080/10412905.1990.9697854
  19. 10.1080/10412905.1992.9698053
  20. 10.1080/10412905.1992.9698080
  21. 10.1080/10412905.1993.9698167
  22. 10.1080/10412905.1993.9698248
  23. 10.1080/10412905.1994.9698387
  24. 10.1080/10412905.1994.9698400
  25. 10.1080/10412905.1994.9698417
  26. 10.1080/10412905.1994.9698447
  27. 10.1080/10412905.1994.9699347
  28. 10.1080/10412905.1994.9699357
  29. 10.1080/10412905.1994.9699366
  30. 10.1080/10412905.1995.9698478
  31. 10.1080/10412905.1995.9698555
  32. 10.1080/10412905.1995.9698585
  33. 10.1080/10412905.1996.9700569
  34. 10.1080/10412905.1997.9700727
  35. 10.1080/14786411003792165
  36. 10.1515/1556-3758.1412
  37. 10.1590/S0100-40422009000200028

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.