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COCONUT Compound

(+/-)-11-Selinen-4alpha-ol

CNP0248491.2 · C15H26O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(+/-)-11-Selinen-4alpha-ol
IUPAC Name(1~{R},4~{a}~{R},7~{R},8~{a}~{R})-7-isopropenyl-1,4~{a}-dimethyl-decalin-1-ol
COCONUT IDCNP0248491.2
CAS16641-47-7
InChIKeyDPQYOKVMVCQHMY-KBUPBQIOSA-N
InChIInChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15-/m1/s1
SMILESC=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1

Properties

Molecular FormulaC15H26O
Molecular Weight222.37
Exact Mass222.19837
Log P (ALogP)3.92
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.67
NP-likeness2.99

Classification

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

Reported in GR-MAPs Plants

Murraya koenigii as “Murraya koenigii” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia Annua; Artemisia annua L.cultivar Jwarharti” in COCONUT

References (21)

  1. 10.1007/S11418-007-0175-2
  2. 10.1016/0031-9422(91)80088-I
  3. 10.1016/J.PHYTOCHEM.2005.07.001
  4. 10.1016/J.PHYTOCHEM.2009.06.013
  5. 10.1016/S0031-9422(00)95115-X
  6. 10.1021/JF0402633
  7. 10.1021/JO040272A
  8. 10.1021/NP020078O
  9. 10.1021/NP030475E
  10. 10.1021/NP990212D
  11. 10.1021/np020078o
  12. 10.1055/S-2006-958052
  13. 10.1080/10412905.2000.9699486
  14. 10.1080/10412905.2009.9700137
  15. 10.1080/10412905.2010.9700304
  16. 10.1089/jmf.2010.0066
  17. 10.1177/1934578X1100600135
  18. 10.1248/CPB.54.222
  19. 10.1590/S0103-50532000000600012
  20. 10.1590/S0103-50532011000400018
  21. 10.3390/MOLECULES24234244

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.