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COCONUT Compound

ALPHA-SELINENE

CNP0141319.1 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameALPHA-SELINENE
IUPAC Name(3~{R},4~{a}~{R},8~{a}~{R})-3-isopropenyl-5,8~{a}-dimethyl-2,3,4,4~{a},7,8-hexahydro-1~{H}-naphthalene
COCONUT IDCNP0141319.1
CAS473-13-2
InChIKeyOZQAPQSEYFAMCY-QLFBSQMISA-N
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15-/m1/s1
SMILESC=C(C)[C@@H]1CC[C@@]2(C)CCC=C(C)[C@@H]2C1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.73
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.54
NP-likeness3.25

Classification

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

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia Annua; Artemisia annua L.cultivar Jwarharti” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (123)

  1. 10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
  2. 10.1002/CHIN.198734320
  3. 10.1002/FFJ.2730050307
  4. 10.1002/FFJ.2730060314
  5. 10.1002/FFJ.2730090305
  6. 10.1002/FFJ.2730090309
  7. 10.1002/FFJ.2730100408
  8. 10.1002/FFJ.2730100605
  9. 10.1002/HLCA.19630460506
  10. 10.1002/HLCA.19770600710
  11. 10.1002/PTR.1093
  12. 10.1006/JFCA.1999.0841
  13. 10.1007/BF00567284
  14. 10.1007/BF00570218
  15. 10.1007/BF00576212
  16. 10.1007/BF00576230
  17. 10.1007/BF00713346
  18. 10.1007/BF01386197
  19. 10.1007/BF01970171
  20. 10.1007/S11418-007-0175-2
  21. 10.1007/S13765-012-1162-1
  22. 10.1016/0031-9422(74)85146-0
  23. 10.1016/0031-9422(80)83071-8
  24. 10.1016/0031-9422(82)80138-6
  25. 10.1016/0031-9422(83)80212-X
  26. 10.1016/0031-9422(83)83041-6
  27. 10.1016/0031-9422(88)80300-5
  28. 10.1016/0031-9422(88)83027-9
  29. 10.1016/0031-9422(88)83101-7
  30. 10.1016/0031-9422(88)87022-5
  31. 10.1016/0031-9422(91)83064-R
  32. 10.1016/0031-9422(95)00183-8
  33. 10.1016/0031-9422(95)00355-B
  34. 10.1016/0031-9422(95)00577-T
  35. 10.1016/0305-1978(89)90098-7
  36. 10.1016/J.FITOTE.2005.08.019
  37. 10.1016/J.FOODCHEM.2012.09.111
  38. 10.1016/J.FOODCHEM.2015.11.033
  39. 10.1016/J.FOODRES.2012.03.015
  40. 10.1016/J.INDCROP.2013.06.023

Showing 40 of 123. 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.