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1-Heptadecene

PubChem CID: 23217

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Compound Synonyms 1-HEPTADECENE, heptadec-1-ene, 6765-39-5, HEPTADECENE, Hexahydroaplotaxene, 26266-05-7, UNII-P33057D09T, EINECS 229-825-6, EINECS 247-567-2, MFCD00009000, NSC 77132, NSC-77132, P33057D09T, AI3-36483, CHEBI:64502, DTXSID00873236, heptadecen, 1-aHeptadecene, EINECS 265-207-2, C17H34, C30-38 olefin, 1-Heptadecene, 98%, UNII-04DAD0KDZ0, 04DAD0KDZ0, DTXCID508257, NSC77132, LMFA11000318, AKOS015912747, 1-heptadecene [standard material for gc], DB-055053, H0372, NS00046571, S0347, D90849, Q27104917, 247-567-2
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 CCCCCCCCCCCCCCCC=C
Heavy Atom Count 17.0
Classyfire Class Unsaturated hydrocarbons
Description 1-heptadecene is a member of the class of compounds known as unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, 1-heptadecene is considered to be a hydrocarbon lipid molecule. 1-heptadecene can be found in burdock and safflower, which makes 1-heptadecene a potential biomarker for the consumption of these food products.
Classyfire Subclass Unsaturated aliphatic hydrocarbons
Isotope Atom Count 0.0
Molecular Complexity 137.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name heptadec-1-ene
Prediction Hob 1.0
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 9.5
Gsk 4 400 Rule False
Molecular Formula C17H34
Prediction Swissadme 0.0
Inchi Key ADOBXTDBFNCOBN-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.8823529411764706
Logs -7.045
Rotatable Bond Count 14.0
State liquid
Logd 4.516
Synonyms 1-Heptadecene, Heptadecene, Hexahydroaplotaxene, 1 -heptadecene, 1-heptadecene, heptadec-1-ene, heptadecene, hexahydroaplotaxene
Esol Class Poorly soluble
Functional Groups C=CC
Compound Name 1-Heptadecene
Prediction Hob Swissadme 0.0
Exact Mass 238.266
Formal Charge 0.0
Monoisotopic Mass 238.266
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 238.5
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 -6.373145799999999
Inchi InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
Smiles CCCCCCCCCCCCCCCC=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 Allium Cepa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1872
  • 2. Outgoing r'ship FOUND_IN to/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Alpinia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698687
  • 4. Outgoing r'ship FOUND_IN to/from Arctium Lappa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Centaurea Iberica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.755476
  • 8. Outgoing r'ship FOUND_IN to/from Cirsium Arvense (Plant) Rel Props:Reference:ISBN:9788185042145
  • 9. Outgoing r'ship FOUND_IN to/from Cirsium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Cymbopogon Jwarancusa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1509023
  • 11. Outgoing r'ship FOUND_IN to/from Dryopteris Filix- (Plant) Rel Props:Source_db:npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165
  • 13. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1530613
  • 14. Outgoing r'ship FOUND_IN to/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965
  • 15. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699491
  • 16. Outgoing r'ship FOUND_IN to/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Phyllanthus Amarus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201
  • 19. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 20. Outgoing r'ship FOUND_IN to/from Rhaponticum Repens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1670
  • 21. Outgoing r'ship FOUND_IN to/from Rosa Cymosa (Plant) Rel Props:Reference:ISBN:9788185042138
  • 22. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1099120
  • 23. Outgoing r'ship FOUND_IN to/from Rosa Foetida (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884765
  • 24. Outgoing r'ship FOUND_IN to/from Rosa Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Saussurea Involucrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 27. Outgoing r'ship FOUND_IN to/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 28. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
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