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COCONUT Compound

gamma-Curcumene

CNP0147863.1 · C15H24 · View on COCONUT ↗

2D Structure

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Identifiers

Namegamma-Curcumene
IUPAC Name1-[(1~{R})-1,5-dimethylhex-4-enyl]-4-methyl-cyclohexa-1,3-diene
COCONUT IDCNP0147863.1
CAS28976-68-3
InChIKeyNGIVKZGKEPRIGG-CQSZACIVSA-N
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m1/s1
SMILESCC(C)=CCC[C@@H](C)C1=CC=C(C)CC1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)5.04
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds4
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.56
NP-likeness2.88

Classification

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

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT

References (31)

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  2. 10.1002/BSCB.19860950903
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  6. 10.1016/0031-9422(88)80695-2
  7. 10.1016/0031-9422(89)80045-7
  8. 10.1016/0031-9422(91)85145-P
  9. 10.1016/0031-9422(92)80176-F
  10. 10.1016/0031-9422(92)83132-I
  11. 10.1016/0031-9422(92)83132-i
  12. 10.1016/J.FCT.2008.07.017
  13. 10.1016/J.PHYTOCHEM.2004.05.007
  14. 10.1016/J.PHYTOCHEM.2007.04.027
  15. 10.1016/S0031-9422(00)80483-5
  16. 10.1016/S0031-9422(00)81231-5
  17. 10.1016/S0031-9422(00)81569-1
  18. 10.1016/S0031-9422(00)83172-6
  19. 10.1016/S0031-9422(00)83606-7
  20. 10.1016/S0031-9422(00)85326-1
  21. 10.1016/S0031-9422(00)94543-6
  22. 10.1021/ACS.JAFC.5B00546
  23. 10.1021/JF020872F
  24. 10.1055/S-2006-957552
  25. 10.1055/S-2006-961490
  26. 10.1055/S-2007-969446
  27. 10.1076/1388-0209(200004)3821-1FT106
  28. 10.1080/0972060X.2012.10644011
  29. 10.1080/10412905.1993.9698179
  30. 10.1080/10412905.1994.9698400
  31. 10.1248/CPB.54.222

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.