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COCONUT Compound

(1Z,4Z,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

CNP0263112.4 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(1Z,4Z,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
IUPAC Name(1Z,4Z,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
COCONUT IDCNP0263112.4
InChIKeyFAMPSKZZVDUYOS-KXWHQPPKSA-N
InChIInChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6-,13-7-,14-10-
SMILESC/C1=C/CC/C(C)=C\CC(C)(C)/C=C\C1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)5.04
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.49
NP-likeness3.18

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassHumulane sesquiterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Ocimum basilicum as “Ocimum basilicum” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Zingiber zerumbet as “Zingiber zerumbet” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT
Cinnamomum verum as “Cinnamomum verum” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (144)

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  2. 10.1002/ARDP.19853181106
  3. 10.1002/CBER.19731060808
  4. 10.1002/CBER.19731060919
  5. 10.1002/CBER.19731061202
  6. 10.1002/JCCS.196000004
  7. 10.1002/JCTB.5000681208
  8. 10.1002/JPS.3080230706
  9. 10.1002/PCA.759
  10. 10.1002/PTR.2095
  11. 10.1002/ffj.2730030109
  12. 10.1007/BF00568368
  13. 10.1007/BF00579758
  14. 10.1007/BF00580453
  15. 10.1007/BF00600857
  16. 10.1007/S10600-011-9775-X
  17. 10.1007/S11418-006-0039-1
  18. 10.1007/S11418-007-0155-6
  19. 10.1007/S11418-007-0175-2
  20. 10.1016/0031-9422(79)83063-0
  21. 10.1016/0031-9422(80)85128-4
  22. 10.1016/0031-9422(80)87019-1
  23. 10.1016/0031-9422(81)80032-5
  24. 10.1016/0031-9422(81)80033-7
  25. 10.1016/0031-9422(81)83109-3
  26. 10.1016/0031-9422(81)85166-7
  27. 10.1016/0031-9422(81)85192-8
  28. 10.1016/0031-9422(82)80030-7
  29. 10.1016/0031-9422(82)80032-0
  30. 10.1016/0031-9422(82)80035-6
  31. 10.1016/0031-9422(82)80036-8
  32. 10.1016/0031-9422(82)80139-8
  33. 10.1016/0031-9422(82)80140-4
  34. 10.1016/0031-9422(82)80161-1
  35. 10.1016/0031-9422(82)80164-7
  36. 10.1016/0031-9422(82)83091-4
  37. 10.1016/0031-9422(82)83165-8
  38. 10.1016/0031-9422(82)83168-3
  39. 10.1016/0031-9422(82)85189-3
  40. 10.1016/0031-9422(82)85252-7

Showing 40 of 144. 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.