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COCONUT Compound

GERANIOL

CNP0244258.1 · C10H18O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameGERANIOL
IUPAC Name(2E)-3,7-dimethylocta-2,6-dien-1-ol
COCONUT IDCNP0244258.1
CAS106-24-1, 624-15-7, CAS-106-24-1
InChIKeyGLZPCOQZEFWAFX-JXMROGBWSA-N
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
SMILESCC(C)=CCC/C(C)=C/CO

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.67
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.62
NP-likeness2.91

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassAcyclic monoterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Pelargonium graveolens as “Pelargonium graveolens” in COCONUT
Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Catharanthus roseus as “Catharanthus roseus” in COCONUT
Centella asiatica as “Centella asiatica” in COCONUT
Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT
Cymbopogon winterianus as “Cymbopogon winterianus” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cinnamomum verum as “Cinnamomum verum; Cinnamomum zeylanicum” in COCONUT
Cymbopogon martini as “Cymbopogon Martinii” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (348)

  1. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  2. 10.1002/(SICI)1099-1026(199703)12:2<117::AID-FFJ612>3.0.CO;2-X
  3. 10.1002/(SICI)1099-1026(199801/02)13:1<29::AID-FFJ682>3.0.CO;2-S
  4. 10.1002/(SICI)1099-1026(199901/02)14:1<15::AID-FFJ777>3.0.CO;2-M
  5. 10.1002/(SICI)1099-1026(200003/04)15:2<100::AID-FFJ874>3.0.CO;2-Y
  6. 10.1002/1099-1565(200009/10)11:5<304::AID-PCA531>3.0.CO;2-G
  7. 10.1002/9780470744307.gat218
  8. 10.1002/CJOC.201180379
  9. 10.1002/FFJ.1187
  10. 10.1002/FFJ.1582
  11. 10.1002/FFJ.2730020106
  12. 10.1002/FFJ.2730020310
  13. 10.1002/FFJ.2730030204
  14. 10.1002/FFJ.2730030305
  15. 10.1002/FFJ.2730040411
  16. 10.1002/FFJ.2730050406
  17. 10.1002/FFJ.2730060407
  18. 10.1002/FFJ.2730070108
  19. 10.1002/FFJ.2730090305
  20. 10.1002/FFJ.2730100203
  21. 10.1002/FFJ.2730100317
  22. 10.1002/FFJ.2730100605
  23. 10.1002/FFJ.2730100609
  24. 10.1002/HLCA.19720550603
  25. 10.1002/JSFA.2740640408
  26. 10.1002/JSFA.8889
  27. 10.1002/PCA.2778
  28. 10.1002/PTR.1267
  29. 10.1002/PTR.2650070123
  30. 10.1002/PTR.2650090215
  31. 10.1002/biuz.19840140514
  32. 10.1007/BF00567284
  33. 10.1007/BF00574355
  34. 10.1007/BF00576230
  35. 10.1007/BF00579141
  36. 10.1007/BF00579167
  37. 10.1007/BF00579447
  38. 10.1007/BF00579758
  39. 10.1007/BF00579986
  40. 10.1007/BF00580068

Showing 40 of 348. 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.