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COCONUT Compound

Solavetivone

CNP0108097.2 · C15H22O · View on COCONUT ↗

This compound is also curated in GR-MAPs, with spectra, bioactivity and 3D structure: view GR-MAPs record MOL12

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameSolavetivone
IUPAC Name(3~{R},5~{S},6~{R})-3-isopropenyl-6,10-dimethyl-spiro[4.5]dec-9-en-8-one
COCONUT IDCNP0108097.2
CAS54878-25-0
InChIKeyFGCUSSRGQNHZRW-UMVBOHGHSA-N
InChIInChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C

Properties

Molecular FormulaC15H22O
Molecular Weight218.34
Exact Mass218.16707
Log P (ALogP)3.90
TPSA17.07
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.61
NP-likeness2.84

Classification

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

Reported in GR-MAPs Plants

Centella asiatica as “Centella asiatica” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT

References (24)

  1. 10.1007/BF00242953
  2. 10.1016/0021-9673(93)80300-W
  3. 10.1016/0031-9422(79)80035-7
  4. 10.1016/0031-9422(80)85086-2
  5. 10.1016/J.CHROMA.2004.03.057
  6. 10.1016/J.PHYTOCHEM.2005.07.016
  7. 10.1016/S0031-9422(00)80279-4
  8. 10.1016/S0031-9422(00)82732-6
  9. 10.1016/S0031-9422(00)83805-4
  10. 10.1016/S0031-9422(00)94766-6
  11. 10.1016/S0031-9422(00)98531-5
  12. 10.1016/S0305-1978(02)00048-0
  13. 10.1021/JF00056A056
  14. 10.1021/NP010186V
  15. 10.1021/NP980214I
  16. 10.1021/np010186v
  17. 10.1021/np980214i
  18. 10.1515/ZNC-2001-3-403
  19. 10.1515/ZNC-2001-9-1007
  20. 10.17221/1847-HORTSCI
  21. 10.3186/JJPHYTOPATH.49.501
  22. 10.3186/JJPHYTOPATH.54.453
  23. 10.3390/MOLECULES14082909
  24. 10.3390/MOLECULES17021698

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.