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Isopiperolein B

PubChem CID: 16041826

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Compound Synonyms Isopiperolein B, CHEBI:70091, 1-[(9e)-10-(3,4-methylenedioxyphenyl)-9-decenoyl]pyrrolidine, CHEMBL1669575, SCHEMBL14025734, Q27138429, 10-(3,4-Methylenedioxyphenyl)-9-decenoic acid pyrrolidide, 1-[10-(1,3-Benzodioxol-5-yl)-1-oxo-9-decenyl]pyrrolidine, (E)-10-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yldec-9-en-1-one, (9E)-10-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)dec-9-en-1-one
Topological Polar Surface Area 38.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 25.0
Description Alkaloid from the berries of Piper nigrum (pepper). Isopiperolein B is found in herbs and spices.
Isotope Atom Count 0.0
Molecular Complexity 431.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name (E)-10-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yldec-9-en-1-one
Prediction Hob 0.0
Xlogp 5.1
Molecular Formula C21H29NO3
Prediction Swissadme 0.0
Inchi Key HRMXETZEKQCWBC-UXBLZVDNSA-N
Fcsp3 0.5714285714285714
Logs -4.548
Rotatable Bond Count 9.0
Logd 3.66
Synonyms 1-[10-(1,3-Benzodioxol-5-yl)-1-oxo-9-decenyl]pyrrolidine, 10-(3,4-Methylenedioxyphenyl)-9-decenoic acid pyrrolidide
Compound Name Isopiperolein B
Prediction Hob Swissadme 0.0
Exact Mass 343.215
Formal Charge 0.0
Monoisotopic Mass 343.215
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 343.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -4.9142954
Inchi InChI=1S/C21H29NO3/c23-21(22-14-8-9-15-22)11-7-5-3-1-2-4-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+
Smiles C1CCN(C1)C(=O)CCCCCCC/C=C/C2=CC3=C(C=C2)OCO3
Nring 3.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Piper Acutifolium (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Piper Aduncum (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Piper Aequale (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Piper Angustifolium (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Piper Arboreum (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Piper Argyrophyllum (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Piper Attenuatum (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Piper Baccatum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Piper Bachystachyum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Piper Banksii (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Piper Bantamense (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Piper Barberi (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Piper Bavinum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Piper Betel (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Piper Betle (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Piper Betleoides (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Piper Boehmeriaefolium (Plant) Rel Props:Source_db:npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Piper Brachystachyum (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Piper Callosum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Piper Caninum (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Piper Chaba (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Piper Crassinervium (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Piper Cubeba (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Piper Diffusum (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Piper Dilatatum (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Piper Divaricatum (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Piper Elongatum (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Piper Futokadsura (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Piper Griffthii (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Piper Guineense (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Piper Hamiltonii (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Piper Hancei (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Piper Hispidum (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Piper Hookeri (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Piper Hostmannianum (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Piper Kadsura (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Piper Lanceifolium (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Piper Longum (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Piper Marginatum (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Piper Methysticum (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Piper Mullesua (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Piper Nepalens (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Piper Officinarum (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Piper Pedicellatum (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Piper Pedicellosum (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Piper Peepuloides (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Piper Polysyphorum (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Piper Puberulum (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Piper Regnellii (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Piper Retrofractum (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Piper Sanctum (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Piper Sarmentosum (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Piper Schmidtii (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Piper Spp (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Piper Sulvaticum (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Piper Sylvaticum (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Piper Taboganum (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Piper Taiwanense (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Piper Thomsonii (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Piper Trichostachyon (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Piper Trioicum (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Piper Tuberculatum (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Piper Umbellatum (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Piper Wallichii (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Piper Wightii (Plant) Rel Props:Reference:
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