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Sanshool

PubChem CID: 6440935

Connections displayed (default: 10).
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Compound Synonyms alpha-Sanshool, Sanshool, 504-97-2, (2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide, YB7LBG97PX, (E,E,Z,E)-N-(2-Methylpropyl)-2,6,8,10-dodecatetraenamide, 2,6,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (E,E,Z,E)-, Echinacein, (2E,6Z,8E,10E)-N-(2-Methylpropyl)-2,6,8,10-dodecatetraenamide, Echinaceine, Neoherculine, alpha-Sanshooel, UNII-YB7LBG97PX, SCHEMBL1030320, CHEBI:80920, DTXSID601319143, HY-N2527, AKOS040744365, DA-67399, CS-0022798, C17091, EN300-21953183, Q2839529, N-(2-Methylpropyl)-2E,6Z,8E,10E-dodecatetraenamide, 2E,6Z,8E,10E-Dodecatetraenoic acid N-(2-methylpropyl)amide, N-Isobutyl-trans-2,cis-6,trans-8,trans-10-dodecatetraenamide, 2,6,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (2E,6Z,8E,10E)-
Topological Polar Surface Area 29.1
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 322.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
Prediction Hob 1.0
Xlogp 4.2
Molecular Formula C16H25NO
Prediction Swissadme 1.0
Inchi Key SBXYHCVXUCYYJT-UEOYEZOQSA-N
Fcsp3 0.4375
Logs -2.972
Rotatable Bond Count 8.0
Logd 2.601
Compound Name Sanshool
Prediction Hob Swissadme 1.0
Exact Mass 247.194
Formal Charge 0.0
Monoisotopic Mass 247.194
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 247.38
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 4.0
Esol -3.7311684
Inchi InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+
Smiles C/C=C/C=C/C=C\CC/C=C/C(=O)NCC(C)C
Nring 0.0
Defined Bond Stereocenter Count 4.0

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Episcopale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Ardisia Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Beaucarnea Recurvata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Centaurea Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Cotylelobium Scabriusculum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Cratystylis Conocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Diospyros Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Diospyros Elliptifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Diospyros Peregrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Eucalyptus Hybrid (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Garcinia Oligantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Gutenbergia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Iris Spuria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Mikania Scandens (Plant) Rel Props:Source_db:npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Phyllodium Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Rubus Trifidus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Scorzonera Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Sparganium Stoloniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Zanthoxylum Simulans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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