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COCONUT Compound

gamma-Muurolene

CNP0123983.5 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namegamma-Muurolene
IUPAC Name(1~{S},4~{a}~{S},8~{a}~{R})-1-isopropyl-7-methyl-4-methylene-2,3,4~{a},5,6,8~{a}-hexahydro-1~{H}-naphthalene
COCONUT IDCNP0123983.5
InChIKeyWRHGORWNJGOVQY-ZNMIVQPWSA-N
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1
SMILESC=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.58
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.55
NP-likeness3.09

Classification

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

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Mucuna pruriens as “Mucuna prurita” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus Officinalis” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT

References (133)

  1. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  2. 10.1002/(SICI)1099-1026(199909/10)14:5<290::AID-FFJ828>3.0.CO;2-4
  3. 10.1002/1099-1573(200006)14:4<284::AID-PTR599>3.0.CO;2-Y
  4. 10.1002/FFJ.1305
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  19. 10.1016/0031-9422(83)85029-8
  20. 10.1016/0031-9422(95)00183-8
  21. 10.1016/0305-1978(89)90098-7
  22. 10.1016/J.APJTM.2016.06.009
  23. 10.1016/J.ARABJC.2012.04.042
  24. 10.1016/J.BSE.2003.12.009
  25. 10.1016/J.PHYTOCHEM.2003.08.004
  26. 10.1016/S0021-9673(01)90672-7
  27. 10.1016/S0031-9422(00)81573-3
  28. 10.1016/S0031-9422(00)83061-7
  29. 10.1016/S0031-9422(00)83062-9
  30. 10.1016/S0031-9422(00)84581-1
  31. 10.1016/S0031-9422(00)84709-3
  32. 10.1016/S0031-9422(00)84721-4
  33. 10.1016/S0031-9422(00)94835-0
  34. 10.1016/S0031-9422(00)95206-3
  35. 10.1016/S0031-9422(01)00301-6
  36. 10.1016/S0031-9422(97)00762-0
  37. 10.1016/S0305-1978(00)00062-4
  38. 10.1016/S0367-326X(02)00171-5
  39. 10.1016/S0378-8741(01)00211-2
  40. 10.1016/j.foodchem.2020.127109

Showing 40 of 133. 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.