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Verbenene

PubChem CID: 6427476

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Compound Synonyms Verbenene, 4080-46-0, 6,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene, DTXSID50423806, DTXCID70374644, 4-methylene-6,6-dimethylbicyclo[3.1.1]hept-2-ene, Q67880188
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CC1C2
Np Classifier Class Carane monoterpenoids
Deep Smiles C=CC=CCCC6C4C)C
Heavy Atom Count 10.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level CC1CCC2CC1C2
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 208.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.9
Gsk 4 400 Rule True
Molecular Formula C10H14
Scaffold Graph Node Bond Level C=C1C=CC2CC1C2
Prediction Swissadme 0.0
Inchi Key YOQFOABVDRBYCG-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.6
Rotatable Bond Count 0.0
Synonyms verbenene, verbenene*
Esol Class Soluble
Functional Groups C=C(C)C=CC
Compound Name Verbenene
Prediction Hob Swissadme 0.0
Exact Mass 134.11
Formal Charge 0.0
Monoisotopic Mass 134.11
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 134.22
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -2.4802764
Inchi InChI=1S/C10H14/c1-7-4-5-8-6-9(7)10(8,2)3/h4-5,8-9H,1,6H2,2-3H3
Smiles CC1(C2CC1C(=C)C=C2)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Monoterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Adenosma Indianum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1067650
  • 2. Outgoing r'ship FOUND_IN to/from Anthriscus Cerefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1310633
  • 3. Outgoing r'ship FOUND_IN to/from Anthriscus Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1310633
  • 4. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1257370
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
  • 7. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
  • 8. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
  • 9. Outgoing r'ship FOUND_IN to/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643708
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  • 11. Outgoing r'ship FOUND_IN to/from Chrysanthemum Zawadskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 13. Outgoing r'ship FOUND_IN to/from Corymbia Maculata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1026
  • 14. Outgoing r'ship FOUND_IN to/from Cunninghamia Lanceolata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1685
  • 15. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.931253
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  • 17. Outgoing r'ship FOUND_IN to/from Eucalyptus Resinifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1026
  • 18. Outgoing r'ship FOUND_IN to/from Eucalyptus Tereticornis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Ferula Ovina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.935031
  • 20. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698590
  • 21. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1527
  • 22. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700273
  • 23. Outgoing r'ship FOUND_IN to/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700642
  • 24. Outgoing r'ship FOUND_IN to/from Juniperus Polycarpos (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700273
  • 25. Outgoing r'ship FOUND_IN to/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698701
  • 26. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700989
  • 27. Outgoing r'ship FOUND_IN to/from Lavandula Stoechas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.1001527
  • 28. Outgoing r'ship FOUND_IN to/from Limnophila Aromatica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1067650
  • 29. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701112
  • 30. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Litsea Glutinosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.935068
  • 32. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 33. Outgoing r'ship FOUND_IN to/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1645046
  • 34. Outgoing r'ship FOUND_IN to/from Origanum Onites (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699077
  • 35. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 36. Outgoing r'ship FOUND_IN to/from Peganum Harmala (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813241
  • 37. Outgoing r'ship FOUND_IN to/from Perovskia Abrotanoides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643712
  • 38. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700128
  • 39. Outgoing r'ship FOUND_IN to/from Picea Abies (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699244
  • 40. Outgoing r'ship FOUND_IN to/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.862074
  • 41. Outgoing r'ship FOUND_IN to/from Pistacia Vera (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643643
  • 42. Outgoing r'ship FOUND_IN to/from Pulicaria Undulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699106
  • 43. Outgoing r'ship FOUND_IN to/from Rosa Gallica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643794
  • 44. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643423
  • 45. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700989
  • 46. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1647
  • 47. Outgoing r'ship FOUND_IN to/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.922508
  • 48. Outgoing r'ship FOUND_IN to/from Stachys Sylvatica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1275
  • 49. Outgoing r'ship FOUND_IN to/from Tanacetum Dolichophyllum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9712281
  • 50. Outgoing r'ship FOUND_IN to/from Tetraclinis Articulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1076739
  • 51. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1082947
  • 52. Outgoing r'ship FOUND_IN to/from Thymus Kotschyanus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1397
  • 53. Outgoing r'ship FOUND_IN to/from Thymus Serpyllum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895213
  • 54. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865
  • 55. Outgoing r'ship FOUND_IN to/from Torilis Leptophylla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662596
  • 56. Outgoing r'ship FOUND_IN to/from Trianthema Portulacastrum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1205523
  • 57. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1630015
  • 58. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 59. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.1001142
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