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COCONUT Compound

(+)-gamma-cadinene

CNP0123983.1 · C15H24 · View on COCONUT ↗

2D Structure

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Identifiers

Name(+)-gamma-cadinene
IUPAC Name(1~{S},4~{a}~{R},8~{a}~{R})-1-isopropyl-7-methyl-4-methylene-2,3,4~{a},5,6,8~{a}-hexahydro-1~{H}-naphthalene
COCONUT IDCNP0123983.1
CAS483-74-9
InChIKeyWRHGORWNJGOVQY-KKUMJFAQSA-N
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1
SMILESC=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]12

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.58
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.55
NP-likeness3.09

Classification

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

Reported in GR-MAPs Plants

Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha piperita” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (233)

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  2. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  3. 10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
  4. 10.1002/CJOC.201180379
  5. 10.1002/FFJ.2730010103
  6. 10.1002/FFJ.2730030204
  7. 10.1002/FFJ.2730030208
  8. 10.1002/FFJ.2730060110
  9. 10.1002/FFJ.2730060307
  10. 10.1002/FFJ.2730070109
  11. 10.1002/FFJ.2730070603
  12. 10.1002/FFJ.2730080504
  13. 10.1002/FFJ.2730100310
  14. 10.1002/FFJ.2730100313
  15. 10.1002/FFJ.2730100408
  16. 10.1002/FFJ.2730100609
  17. 10.1002/JCCS.199900029
  18. 10.1002/JLAC.19717450107
  19. 10.1002/MRC.1260240321
  20. 10.1002/PCA.2800050503
  21. 10.1002/PCA.594
  22. 10.1002/RCM.1290091307
  23. 10.1007/BF00567053
  24. 10.1007/BF00567284
  25. 10.1007/BF00567793
  26. 10.1007/BF00568367
  27. 10.1007/BF00570218
  28. 10.1007/BF00576212
  29. 10.1007/BF00579141
  30. 10.1007/BF00579167
  31. 10.1007/BF00579988
  32. 10.1007/BF00713346
  33. 10.1007/BF01959201
  34. 10.1007/BF01970171
  35. 10.1007/BF02282508
  36. 10.1007/S10086-018-1773-1
  37. 10.1016/0031-9422(75)85347-7
  38. 10.1016/0031-9422(82)80025-3
  39. 10.1016/0031-9422(82)80055-1
  40. 10.1016/0031-9422(83)85052-3

Showing 40 of 233. 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.