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COCONUT Compound

TERPINOLENE

CNP0160264.0 · C10H16 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameTERPINOLENE
IUPAC Name4-isopropylidene-1-methyl-cyclohexene
COCONUT IDCNP0160264.0
CAS586-62-9
InChIKeyMOYAFQVGZZPNRA-UHFFFAOYSA-N
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
SMILESCC1=CCC(=C(C)C)CC1

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.45
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.45
NP-likeness2.58

Classification

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

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
Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Ocimum basilicum as “Ocimum basilicum” 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; Mentha piperita L.” 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; Mentha arvensis L.” 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
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Cinnamomum verum as “Cinnamomum verum; Cinnamomum zeylanicum” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (525)

  1. 10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
  2. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  3. 10.1002/(SICI)1099-1026(199611)11:6<367::AID-FFJ598>3.0.CO;2-R
  4. 10.1002/(SICI)1099-1026(1998070)13:4<245::AID-FFJ736>3.0.CO;2-J
  5. 10.1002/(SICI)1099-1026(199909/10)14:5<283::AID-FFJ826>3.0.CO;2-2
  6. 10.1002/(SICI)1099-1026(199909/10)14:5<287::AID-FFJ827>3.0.CO;2-O
  7. 10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
  8. 10.1002/(SICI)1099-1565(199909/10)10:5<241::AID-PCA460>3.0.CO;2-5
  9. 10.1002/(SICI)1522-2675(19990113)82:1<53::AID-HLCA53>3.0.CO;2-7
  10. 10.1002/1099-1573(200011)14:7<549::AID-PTR623>3.0.CO;2-T
  11. 10.1002/CBDV.201700436
  12. 10.1002/CBDV.201800531
  13. 10.1002/CJOC.201180379
  14. 10.1002/ECE3.5390
  15. 10.1002/FFJ.1053
  16. 10.1002/FFJ.1105
  17. 10.1002/FFJ.1175
  18. 10.1002/FFJ.1187
  19. 10.1002/FFJ.1279
  20. 10.1002/FFJ.1305
  21. 10.1002/FFJ.1417
  22. 10.1002/FFJ.1547
  23. 10.1002/FFJ.1804
  24. 10.1002/FFJ.2730010103
  25. 10.1002/FFJ.2730020106
  26. 10.1002/FFJ.2730030204
  27. 10.1002/FFJ.2730030208
  28. 10.1002/FFJ.2730040105
  29. 10.1002/FFJ.2730040206
  30. 10.1002/FFJ.2730040411
  31. 10.1002/FFJ.2730060307
  32. 10.1002/FFJ.2730070108
  33. 10.1002/FFJ.2730070109
  34. 10.1002/FFJ.2730070111
  35. 10.1002/FFJ.2730080504
  36. 10.1002/FFJ.2730090305
  37. 10.1002/FFJ.2730100313
  38. 10.1002/FFJ.2730100605
  39. 10.1002/FFJ.2730100609
  40. 10.1002/HLCA.19840670504

Showing 40 of 525. 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.