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COCONUT Compound

cis-beta-Ocimene

CNP0295010.2 · C10H16 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namecis-beta-Ocimene
IUPAC Name(3Z)-3,7-dimethylocta-1,3,6-triene
COCONUT IDCNP0295010.2
CAS3338-55-4
InChIKeyIHPKGUQCSIINRJ-NTMALXAHSA-N
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-
SMILESC=C/C(C)=C\CC=C(C)C

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.48
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.41
NP-likeness2.78

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 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
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Zingiber zerumbet as “Zingiber zerumbet” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Piper auritum as “Piper auritum” 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
Canabis Sativa as “Cannabis sativa” in COCONUT

References (303)

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  2. 10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
  3. 10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
  4. 10.1002/(SICI)1099-1565(199909/10)10:5<241::AID-PCA460>3.0.CO;2-5
  5. 10.1002/1099-1026(200005/06)15:3<201::AID-FFJ893>3.0.CO;2-I
  6. 10.1002/9780470744307.gat218
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  12. 10.1002/FFJ.1279
  13. 10.1002/FFJ.1305
  14. 10.1002/FFJ.1349
  15. 10.1002/FFJ.1582
  16. 10.1002/FFJ.1804
  17. 10.1002/FFJ.2730020110
  18. 10.1002/FFJ.2730030208
  19. 10.1002/FFJ.2730040206
  20. 10.1002/FFJ.2730060307
  21. 10.1002/FFJ.2730060311
  22. 10.1002/FFJ.2730060314
  23. 10.1002/FFJ.2730070108
  24. 10.1002/FFJ.2730090305
  25. 10.1002/FFJ.2730100313
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  27. 10.1002/FFJ.2730100605
  28. 10.1002/FFJ.3227
  29. 10.1002/HLCA.19840670504
  30. 10.1002/JSFA.980
  31. 10.1002/ffj.1289
  32. 10.1002/ffj.2730010405
  33. 10.1002/ffj.2730100605
  34. 10.1002/jsfa.980
  35. 10.1002/ptr.1103
  36. 10.1006/JFCA.1999.0841
  37. 10.1006/JFCA.2000.0968
  38. 10.1007/BF00580907
  39. 10.1007/BF01959201
  40. 10.1007/BF01959202

Showing 40 of 303. 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.