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Heneicosene

PubChem CID: 3015374

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Compound Synonyms 1-Heneicosene, Henicosene, henicos-1-ene, Heneicosene, 27400-79-9, 1599-68-4, 1RU0UO26IU, UNII-1RU0UO26IU, Heneicosene-, EINECS 248-443-0, DTXSID10950087, LMFA11000315, NS00050327, Q27252803
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Hydrocarbons
Deep Smiles CCCCCCCCCCCCCCCCCCCC=C
Heavy Atom Count 21.0
Classyfire Class Unsaturated hydrocarbons
Classyfire Subclass Unsaturated aliphatic hydrocarbons
Isotope Atom Count 0.0
Molecular Complexity 182.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name henicos-1-ene
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 11.6
Gsk 4 400 Rule False
Molecular Formula C21H42
Prediction Swissadme 0.0
Inchi Key JTOGFHAZQVDOAO-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.9047619047619048
Logs -7.36
Rotatable Bond Count 18.0
Logd 4.708
Synonyms 1-heneicosene, heneicosene
Esol Class Poorly soluble
Functional Groups C=CC
Compound Name Heneicosene
Prediction Hob Swissadme 0.0
Exact Mass 294.329
Formal Charge 0.0
Monoisotopic Mass 294.329
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 294.6
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -7.8241154
Inchi InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3
Smiles CCCCCCCCCCCCCCCCCCCC=C
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Ammannia Multiflora (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1606
  • 3. Outgoing r'ship FOUND_IN to/from Clusia Multiflora (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Euphorbia Helioscopia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1148
  • 5. Outgoing r'ship FOUND_IN to/from Fallopia Multiflora (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Garcinia Multiflora (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Globba Multiflora (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165
  • 9. Outgoing r'ship FOUND_IN to/from Gueldenstaedtia Multiflora (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Hedeoma Multiflora (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Heliomeris Multiflora (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Jasminum Sambac (Plant) Rel Props:Reference:ISBN:9770972795006
  • 13. Outgoing r'ship FOUND_IN to/from Myrica Multiflora (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Oenothera Rosa (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Plumeria Rubra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1617
  • 16. Outgoing r'ship FOUND_IN to/from Premna Serratifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700905
  • 17. Outgoing r'ship FOUND_IN to/from Reynoutria Multiflora (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Rosa Agrestis (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Rosa Alba (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Rosa Banksiae (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Rosa Brunonii (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Rosa Canina (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Rosa Centifolia (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Rosa Cymosa (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.809322
  • 27. Outgoing r'ship FOUND_IN to/from Rosa Davidii (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Rosa Davurica (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Rosa Eglanteria (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Rosa Foetida (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Rosa Gallica (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Rosa Henryi (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Rosa Hybrid (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Rosa Indica (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Rosa Laevigata (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Rosa Macrophylla (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Rosa Moschata (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Rosa Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Rosa Pomifera (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Rosa Roxburghii (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Rosa Rubra (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Rosa Rugosa (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Rosa Sericea (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Rosa Sinesis (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Rosa Transmorrisonensis (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Rosa Webbiana (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Rosa Woodsii (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Rubus Rosa (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Schkuhria Multiflora (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Simaba Multiflora (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Suregada Multiflora (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Taxus Baccata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700371
  • 53. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063
  • 54. Outgoing r'ship FOUND_IN to/from Zataria Multiflora (Plant) Rel Props:Reference:
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