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COCONUT Compound

(-)-beta-Chamigrene

CNP0243325.1 · C15H24 · View on COCONUT ↗

2D Structure

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Identifiers

Name(-)-beta-Chamigrene
IUPAC Name(6~{R})-5,5,9-trimethyl-1-methylene-spiro[5.5]undec-9-ene
COCONUT IDCNP0243325.1
CAS18431-82-8
InChIKeyWLNGPDPILFYWKF-OAHLLOKOSA-N
InChIInChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1
SMILESC=C1CCCC(C)(C)[C@@]12CC=C(C)CC2

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.87
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness3.28

Classification

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

Reported in GR-MAPs Plants

Centella asiatica as “Centella asiatica” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT

References (34)

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  18. 10.1016/S0031-9422(99)00123-5
  19. 10.1016/S0031-9422(99)00159-4
  20. 10.1016/S0040-4020(01)91974-X
  21. 10.1021/JF0402633
  22. 10.1021/NP50052A041
  23. 10.1055/S-2003-37024
  24. 10.1080/10412905.1989.9697780
  25. 10.1080/10412905.1991.9697952
  26. 10.1080/10412905.1994.9698382
  27. 10.1080/10412905.1997.9700822
  28. 10.1080/10412905.2007.9699946
  29. 10.1080/10412905.2013.796498
  30. 10.1111/J.1365-313X.2005.02417.X
  31. 10.1177/1934578X0800301225
  32. 10.1177/1934578x0800300531
  33. 10.1515/ZNB-1990-1118
  34. 10.1590/S0103-50532000000600012

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.