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COCONUT Compound

Copaene

CNP0246337.3 · C15H24 · View on COCONUT ↗

2D Structure

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Identifiers

NameCopaene
IUPAC Name(1~{R},2~{S},7~{S},8~{S})-8-isopropyl-1,3-dimethyl-tricyclo[4.4.0.0^{2,7}]dec-3-ene
COCONUT IDCNP0246337.3
CAS3856-25-5
InChIKeyVLXDPFLIRFYIME-LUGNKYPNSA-N
InChIInChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13-,14+,15+/m0/s1
SMILESCC1=CCC2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.27
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.56
NP-likeness3.17

Classification

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

Reported in GR-MAPs Plants

Boswellia serrata as “Boswellia serrata” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Ajuga chamaepitys as “Ajuga chamaepitys” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (225)

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  2. 10.1002/(SICI)1099-1026(199901/02)14:1<15::AID-FFJ777>3.0.CO;2-M
  3. 10.1002/(SICI)1099-1026(199903/04)14:2<140::AID-FFJ800>3.0.CO;2-R
  4. 10.1002/(SICI)1099-1565(200003/04)11:2<99::AID-PCA494>3.0.CO;2-9
  5. 10.1002/(SICI)1099-1573(1998)12:1+<S117::AID-PTR269>3.0.CO;2-2
  6. 10.1002/1099-1573(200006)14:4<284::AID-PTR599>3.0.CO;2-Y
  7. 10.1002/FFJ.1124
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  12. 10.1002/FFJ.2730030208
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  15. 10.1002/FFJ.2730060307
  16. 10.1002/FFJ.2730100203
  17. 10.1002/PTR.1093
  18. 10.1007/BF00574818
  19. 10.1007/BF00576212
  20. 10.1007/BF00579167
  21. 10.1007/BF00580907
  22. 10.1007/BF01267777
  23. 10.1007/BF01959201
  24. 10.1007/BF02238211
  25. 10.1007/BF02312888
  26. 10.1007/BF02536610
  27. 10.1007/S004030050433
  28. 10.1016/0031-9422(82)80025-3
  29. 10.1016/0031-9422(82)80138-6
  30. 10.1016/0031-9422(88)80124-9
  31. 10.1016/0031-9422(88)80461-8
  32. 10.1016/0031-9422(88)83027-9
  33. 10.1016/0031-9422(92)80396-V
  34. 10.1016/0031-9422(92)80456-O
  35. 10.1016/0031-9422(94)85021-6
  36. 10.1016/0031-9422(95)00522-9
  37. 10.1016/0305-1978(89)90098-7
  38. 10.1016/0305-1978(95)00026-Q
  39. 10.1016/0305-1978(96)00023-3
  40. 10.1016/0378-8741(86)90105-4

Showing 40 of 225. 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.