|
Menu

COCONUT Compound

Isogermacrene D

CNP0224506.2 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameIsogermacrene D
IUPAC Name(1~{Z},6~{Z},8~{S})-8-isopropyl-1-methyl-5-methylene-cyclodeca-1,6-diene
COCONUT IDCNP0224506.2
CAS23986-74-5, 37839-63-7
InChIKeyGAIBLDCXCZKKJE-ACWLMNNXSA-N
InChIInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8-,14-7-/t15-/m0/s1
SMILESC=C1/C=C\[C@H](C(C)C)CC/C(C)=C\CC1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.89
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.53
NP-likeness3.27

Classification

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

Reported in GR-MAPs Plants

Catharanthus roseus as “Catharanthus roseus” in COCONUT
Centella asiatica as “Centella asiatica” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT
Mentha piperita as “Mentha piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Ajuga chamaepitys as “Ajuga chamaepitys” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT

References (427)

  1. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  2. 10.1002/(SICI)1099-1026(199609)11:5<315::AID-FFJ594>3.0.CO;2-B
  3. 10.1002/(SICI)1099-1026(199611)11:6<367::AID-FFJ598>3.0.CO;2-R
  4. 10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
  5. 10.1002/(SICI)1099-1026(199705)12:3<211::AID-FFJ622>3.0.CO;2-5
  6. 10.1002/(SICI)1099-1026(199901/02)14:1<45::AID-FFJ774>3.0.CO;2-S
  7. 10.1002/(SICI)1099-1026(199901/02)14:1<50::AID-FFJ783>3.0.CO;2-7
  8. 10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
  9. 10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0
  10. 10.1002/(SICI)1099-1026(199905/06)14:3<167::AID-FFJ802>3.0.CO;2-O
  11. 10.1002/(SICI)1099-1026(199905/06)14:3<195::AID-FFJ807>3.0.CO;2-C
  12. 10.1002/(SICI)1099-1026(199907/08)14:4<230::AID-FFJ816>3.0.CO;2-L
  13. 10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
  14. 10.1002/(SICI)1099-1026(200001/02)15:1<47::AID-FFJ869>3.0.CO;2-9
  15. 10.1002/(SICI)1099-1565(199803/04)9:2<88::AID-PCA384>3.0.CO;2-4
  16. 10.1002/(SICI)1099-1573(1998)12:1+<S117::AID-PTR269>3.0.CO;2-2
  17. 10.1002/(sici)1099-1026(199603)11:2<133::aid-ffj564>3.0.co;2-2
  18. 10.1002/1099-1026(200005/06)15:3<201::AID-FFJ893>3.0.CO;2-I
  19. 10.1002/1099-1026(200101/02)16:1<19::AID-FFJ940>3.0.CO;2-U
  20. 10.1002/BSCB.19860950903
  21. 10.1002/CBDV.200900080
  22. 10.1002/CHIN.198329359
  23. 10.1002/CHIN.198339322
  24. 10.1002/CHIN.198339323
  25. 10.1002/CHIN.198349152
  26. 10.1002/CHIN.198410290
  27. 10.1002/CHIN.198414320
  28. 10.1002/CHIN.198419305
  29. 10.1002/FFJ.1156
  30. 10.1002/FFJ.1161
  31. 10.1002/FFJ.2730010103
  32. 10.1002/FFJ.2730020110
  33. 10.1002/FFJ.2730030105
  34. 10.1002/FFJ.2730030208
  35. 10.1002/FFJ.2730030406
  36. 10.1002/FFJ.2730040106
  37. 10.1002/FFJ.2730050307
  38. 10.1002/FFJ.2730050309
  39. 10.1002/FFJ.2730060109
  40. 10.1002/FFJ.2730060206

Showing 40 of 427. 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.