|
Menu

COCONUT Compound

(-)-alpha-cedrene

CNP0259981.1 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(-)-alpha-cedrene
IUPAC Name(1~{S},2~{R},5~{S},7~{S})-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-ene
COCONUT IDCNP0259981.1
CAS469-61-4
InChIKeyIRAQOCYXUMOFCW-OSFYFWSMSA-N
InChIInChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
SMILESCC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.42
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.51
NP-likeness3.52

Classification

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

Reported in GR-MAPs Plants

Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (62)

  1. 10.1002/(SICI)1099-1573(1998)12:1+<S117::AID-PTR269>3.0.CO;2-2
  2. 10.1002/CBDV.201000034
  3. 10.1002/CBDV.201800531
  4. 10.1002/FFJ.2730030303
  5. 10.1002/FFJ.2730100310
  6. 10.1007/BF02860485
  7. 10.1007/S10086-018-1773-1
  8. 10.1007/S10886-013-0311-2
  9. 10.1016/0031-9422(88)83085-1
  10. 10.1016/0031-9422(88)83114-5
  11. 10.1016/0031-9422(90)85421-B
  12. 10.1016/0305-1978(94)90030-2
  13. 10.1016/0378-8741(91)90062-I
  14. 10.1016/J.PHYTOCHEM.2003.08.004
  15. 10.1016/J.PHYTOCHEM.2004.05.007
  16. 10.1016/J.PHYTOCHEM.2005.01.007
  17. 10.1016/J.PHYTOCHEM.2005.08.001
  18. 10.1016/J.PHYTOCHEM.2006.05.038
  19. 10.1016/J.PHYTOCHEM.2018.06.006
  20. 10.1016/S0021-9673(01)90672-7
  21. 10.1016/S0031-9422(00)80783-9
  22. 10.1016/S0031-9422(00)81286-8
  23. 10.1016/S0031-9422(00)98542-X
  24. 10.1016/S0031-9422(01)00123-6
  25. 10.1016/S0031-9422(03)00294-2
  26. 10.1016/S0031-9422(82)85033-4
  27. 10.1016/S0040-4020(00)00292-1
  28. 10.1021/JF00069A028
  29. 10.1021/JF0402633
  30. 10.1021/JF070674U
  31. 10.1021/NP50008A001
  32. 10.1021/NP50050A053
  33. 10.1021/NP50071A016
  34. 10.1055/S-2005-837753
  35. 10.1055/S-2006-960126
  36. 10.1055/S-2006-960872
  37. 10.1055/S-2006-960908
  38. 10.1080/0972060X.2010.10643892
  39. 10.1080/10412905.1993.9698167
  40. 10.1080/10412905.1993.9698214

Showing 40 of 62. 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.