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COCONUT Compound

ALPHA-TERPINENE

CNP0178656.0 · C10H16 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameALPHA-TERPINENE
IUPAC Name1-isopropyl-4-methyl-cyclohexa-1,3-diene
COCONUT IDCNP0178656.0
CAS99-86-5
InChIKeyYHQGMYUVUMAZJR-UHFFFAOYSA-N
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
SMILESCC1=CC=C(C(C)C)CC1

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.31
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.52
NP-likeness2.53

Classification

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

Reported in GR-MAPs Plants

Catharanthus roseus as “Catharanthus roseus” in COCONUT
Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” 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; Rosmarinus officinalis L.” in COCONUT
Mentha Arvensis as “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
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
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Canabis Sativa as “Canabis sativa; Cannabis sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (437)

  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(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
  6. 10.1002/(SICI)1099-1565(199909/10)10:5<241::AID-PCA460>3.0.CO;2-5
  7. 10.1002/1099-1026(200005/06)15:3<201::AID-FFJ893>3.0.CO;2-I
  8. 10.1002/9780470744307.gat218
  9. 10.1002/CBDV.200900162
  10. 10.1002/CBDV.201700436
  11. 10.1002/CJOC.201180379
  12. 10.1002/ECE3.5390
  13. 10.1002/FFJ.1053
  14. 10.1002/FFJ.1096
  15. 10.1002/FFJ.1105
  16. 10.1002/FFJ.1187
  17. 10.1002/FFJ.1417
  18. 10.1002/FFJ.1547
  19. 10.1002/FFJ.2730020106
  20. 10.1002/FFJ.2730020110
  21. 10.1002/FFJ.2730030204
  22. 10.1002/FFJ.2730040206
  23. 10.1002/FFJ.2730070111
  24. 10.1002/FFJ.2730070603
  25. 10.1002/FFJ.2730090107
  26. 10.1002/FFJ.2730100313
  27. 10.1002/HLCA.201200359
  28. 10.1002/JCCS.198600037
  29. 10.1002/JPS.3080191008
  30. 10.1002/JSFA.2740580109
  31. 10.1002/JSFA.4146
  32. 10.1002/JSSC.200900378
  33. 10.1002/PCA.2778
  34. 10.1002/PTR.2137
  35. 10.1002/PTR.2650040210
  36. 10.1002/PTR.2650090215
  37. 10.1002/PTR.856
  38. 10.1002/RCM.1290091307
  39. 10.1002/biuz.19840140514
  40. 10.1006/JFCA.1999.0841

Showing 40 of 437. 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.