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COCONUT Compound

MYRCENE

CNP0241365.0 · C10H16 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameMYRCENE
IUPAC Name7-methyl-3-methylene-octa-1,6-diene
COCONUT IDCNP0241365.0
CAS123-35-3, 29463-45-4
InChIKeyUAHWPYUMFXYFJY-UHFFFAOYSA-N
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
SMILESC=CC(=C)CCC=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 Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.41
NP-likeness3.26

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassAcyclic monoterpenoids
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
Centella asiatica as “Centella asiatica” in COCONUT
Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Chrysopogon zizanioides as “Chrysopogon zizanioides” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Boswellia serrata as “Boswellia serrata” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Murraya koenigii as “Murraya koenigii” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia Annua; Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha piperita; Mentha X piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus Officinalis; Rosmarinus officinalis L.” 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
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Ajuga chamaepitys as “Ajuga chamaepitys” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” 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 verum; Cinnamomum zeylanicum” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (897)

  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(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
  4. 10.1002/(SICI)1099-1026(199703)12:2<117::AID-FFJ612>3.0.CO;2-X
  5. 10.1002/(SICI)1099-1026(199707)12:4<285::AID-FFJ649>3.0.CO;2-W
  6. 10.1002/(SICI)1099-1026(199709/10)12:5<335::AID-FFJ664>3.0.CO;2-I
  7. 10.1002/(SICI)1099-1026(199711/12)12:6<397::AID-FFJ670>3.0.CO;2-Z
  8. 10.1002/(SICI)1099-1026(199801/02)13:1<26::AID-FFJ686>3.0.CO;2-P
  9. 10.1002/(SICI)1099-1026(199801/02)13:1<29::AID-FFJ682>3.0.CO;2-S
  10. 10.1002/(SICI)1099-1026(1998070)13:4<245::AID-FFJ736>3.0.CO;2-J
  11. 10.1002/(SICI)1099-1026(199907/08)14:4<211::AID-FFJ812>3.0.CO;2-W
  12. 10.1002/(SICI)1099-1026(199909/10)14:5<312::AID-FFJ835>3.0.CO;2-B
  13. 10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
  14. 10.1002/(SICI)1099-1026(200003/04)15:2<100::AID-FFJ874>3.0.CO;2-Y
  15. 10.1002/(SICI)1099-1565(199909/10)10:5<241::AID-PCA460>3.0.CO;2-5
  16. 10.1002/(SICI)1099-1573(199702)11:1<67::AID-PTR29>3.0.CO;2-I
  17. 10.1002/(SICI)1099-1573(1998)12:1+<S117::AID-PTR269>3.0.CO;2-2
  18. 10.1002/(SICI)1099-1573(1998)12:1+<S92::AID-PTR261>3.0.CO;2-9
  19. 10.1002/1099-1026(200009/10)15:5<299::AID-FFJ911>3.0.CO;2-I
  20. 10.1002/1099-1026(200009/10)15:5<339::AID-FFJ922>3.0.CO;2-H
  21. 10.1002/1099-1026(200101/02)16:1<19::AID-FFJ940>3.0.CO;2-U
  22. 10.1002/1099-1565(200007/08)11:4<236::AID-PCA503>3.0.CO;2-B
  23. 10.1002/9780470744307.gat218
  24. 10.1002/CBDV.200900162
  25. 10.1002/CBDV.201100059
  26. 10.1002/CBDV.201700436
  27. 10.1002/CBDV.201800531
  28. 10.1002/CJOC.201180379
  29. 10.1002/ECE3.5390
  30. 10.1002/FFJ.1053
  31. 10.1002/FFJ.1064
  32. 10.1002/FFJ.1105
  33. 10.1002/FFJ.1124
  34. 10.1002/FFJ.1161
  35. 10.1002/FFJ.1175
  36. 10.1002/FFJ.1248
  37. 10.1002/FFJ.1279
  38. 10.1002/FFJ.1305
  39. 10.1002/FFJ.1349
  40. 10.1002/FFJ.1547

Showing 40 of 897. 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.