|
Menu

COCONUT Compound

Borneol

CNP0259481.8 · C10H18O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameBorneol
IUPAC Name(2~{S},4~{R})-1,7,7-trimethylnorbornan-2-ol
COCONUT IDCNP0259481.8
CAS507-70-0
InChIKeyDTGKSKDOIYIVQL-HHCGNCNQSA-N
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10?/m1/s1
SMILESCC1(C)[C@@H]2CCC1(C)[C@@H](O)C2

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.19
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness2.54

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassCamphane monoterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Boswellia serrata as “Boswellia serrata” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Zingiber zerumbet as “Zingiber zerumbet” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Valeriana jatamansi as “Valeriana jatamansi” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (251)

  1. 10.1002/(SICI)1099-1026(199703)12:2<117::AID-FFJ612>3.0.CO;2-X
  2. 10.1002/(SICI)1099-1026(199705)12:3<211::AID-FFJ622>3.0.CO;2-5
  3. 10.1002/(SICI)1099-1026(199903/04)14:2<105::AID-FFJ791>3.0.CO;2-7
  4. 10.1002/(SICI)1099-1026(199903/04)14:2<140::AID-FFJ800>3.0.CO;2-R
  5. 10.1002/(SICI)1099-1026(199905/06)14:3<173::AID-FFJ805>3.0.CO;2-Q
  6. 10.1002/(SICI)1099-1026(199911/12)14:6<405::AID-FFJ853>3.0.CO;2-M
  7. 10.1002/(SICI)1099-1573(199605)10:3<248::AID-PTR807>3.0.CO;2-9
  8. 10.1002/(SICI)1099-1573(1998)12:1+<S117::AID-PTR269>3.0.CO;2-2
  9. 10.1002/1099-1565(200007/08)11:4<236::AID-PCA503>3.0.CO;2-B
  10. 10.1002/FFJ.1124
  11. 10.1002/FFJ.2730010103
  12. 10.1002/FFJ.2730030204
  13. 10.1002/FFJ.2730030208
  14. 10.1002/FFJ.2730050304
  15. 10.1002/FFJ.2730080104
  16. 10.1002/FFJ.2730080504
  17. 10.1002/FFJ.2730090208
  18. 10.1002/FFJ.2730100408
  19. 10.1002/FFJ.2730100609
  20. 10.1002/JSFA.2740630315
  21. 10.1002/PTR.2650010304
  22. 10.1002/PTR.2650070123
  23. 10.1002/PTR.2650090215
  24. 10.1002/PTR.856
  25. 10.1006/ABBI.1998.0666
  26. 10.1007/978-0-85729-323-7_177
  27. 10.1007/BF00567053
  28. 10.1007/BF00567284
  29. 10.1007/BF00568254
  30. 10.1007/BF00574355
  31. 10.1007/BF00575062
  32. 10.1007/BF00600859
  33. 10.1007/BF00629779
  34. 10.1007/BF00630135
  35. 10.1007/BF01177415
  36. 10.1007/BF01386197
  37. 10.1007/BF02536610
  38. 10.1007/BF02858924
  39. 10.1007/BF02860163
  40. 10.1007/S004030050433

Showing 40 of 251. 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.