|
Menu

COCONUT Compound

(1~{R})-5-isopropyl-2-methyl-bicyclo[3.1.0]hex-2-ene

CNP0154452.1 · C10H16 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

IUPAC Name(1~{R})-5-isopropyl-2-methyl-bicyclo[3.1.0]hex-2-ene
COCONUT IDCNP0154452.1
InChIKeyKQAZVFVOEIRWHN-YHMJZVADSA-N
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10?/m1/s1
SMILESCC1=CCC2(C(C)C)C[C@H]12

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.00
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness3.14

Classification

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

Reported in GR-MAPs Plants

Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Chrysopogon zizanioides as “Chrysopogon zizanioides” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Zingiber zerumbet as “Zingiber zerumbet” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Ajuga chamaepitys as “Ajuga chamaepitys” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (181)

  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)1099-1565(199909/10)10:5<241::AID-PCA460>3.0.CO;2-5
  4. 10.1002/1099-1026(200005/06)15:3<201::AID-FFJ893>3.0.CO;2-I
  5. 10.1002/1099-1026(200007/08)15:4<263::AID-FFJ907>3.0.CO;2-Q
  6. 10.1002/1099-1026(200009/10)15:5<339::AID-FFJ922>3.0.CO;2-H
  7. 10.1002/1099-1573(200011)14:7<549::AID-PTR623>3.0.CO;2-T
  8. 10.1002/FFJ.1281
  9. 10.1002/FFJ.2730020106
  10. 10.1002/FFJ.2730020110
  11. 10.1002/FFJ.2730060307
  12. 10.1002/FFJ.2730100310
  13. 10.1002/RCM.1290091307
  14. 10.1007/BF00567793
  15. 10.1007/BF00580068
  16. 10.1007/BF00629778
  17. 10.1007/BF00629779
  18. 10.1007/BF01959201
  19. 10.1007/BF02536610
  20. 10.1007/BF02860163
  21. 10.1007/S10600-007-0027-Z
  22. 10.1016/0031-9422(88)80124-9
  23. 10.1016/0031-9422(90)85109-S
  24. 10.1016/0031-9422(91)83632-U
  25. 10.1016/0031-9422(95)00347-A
  26. 10.1016/0031-9422(95)00601-X
  27. 10.1016/0305-1978(86)90043-8
  28. 10.1016/0305-1978(92)90070-T
  29. 10.1016/0305-1978(93)90031-L
  30. 10.1016/J.PHYMED.2004.04.006
  31. 10.1016/S0031-9422(00)80682-2
  32. 10.1016/S0031-9422(00)81692-1
  33. 10.1016/S0031-9422(00)83061-7
  34. 10.1016/S0031-9422(00)84088-1
  35. 10.1016/S0031-9422(00)84802-5
  36. 10.1016/S0031-9422(00)84946-8
  37. 10.1016/S0031-9422(96)00691-7
  38. 10.1016/S0031-9422(97)00795-4
  39. 10.1016/S0031-9422(99)00050-3
  40. 10.1016/S0367-326X(98)00002-1

Showing 40 of 181. 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.