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Piperaduncin C

PubChem CID: 10370473

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Compound Synonyms PIPERADUNCIN C, 1-(3-((2,4-dihydroxy-6-methoxy-3-(3-phenylpropanoyl)phenyl)methyl)-2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one, 1-[3-[[2,4-dihydroxy-6-methoxy-3-(3-phenylpropanoyl)phenyl]methyl]-2,6-dihydroxy-4-methoxyphenyl]-3-phenylpropan-1-one, CHEMBL486809, 155023-56-6
Topological Polar Surface Area 134.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 41.0
Isotope Atom Count 0.0
Molecular Complexity 756.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-[3-[[2,4-dihydroxy-6-methoxy-3-(3-phenylpropanoyl)phenyl]methyl]-2,6-dihydroxy-4-methoxyphenyl]-3-phenylpropan-1-one
Prediction Hob 0.0
Xlogp 6.6
Molecular Formula C33H32O8
Prediction Swissadme 0.0
Inchi Key HWWFNLBRJMQILI-UHFFFAOYSA-N
Fcsp3 0.2121212121212121
Logs -3.863
Rotatable Bond Count 12.0
Logd 3.777
Compound Name Piperaduncin C
Prediction Hob Swissadme 0.0
Exact Mass 556.21
Formal Charge 0.0
Monoisotopic Mass 556.21
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 556.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.10275893170732
Inchi InChI=1S/C33H32O8/c1-40-28-18-26(36)30(24(34)15-13-20-9-5-3-6-10-20)32(38)22(28)17-23-29(41-2)19-27(37)31(33(23)39)25(35)16-14-21-11-7-4-8-12-21/h3-12,18-19,36-39H,13-17H2,1-2H3
Smiles COC1=C(C(=C(C(=C1)O)C(=O)CCC2=CC=CC=C2)O)CC3=C(C=C(C(=C3O)C(=O)CCC4=CC=CC=C4)O)OC
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 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:Source_db:cmaup_ingredients;npass_chem_all
  • 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 Banksii (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Piper Bantamense (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Piper Barberi (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Piper Bavinum (Plant) Rel Props:Reference:
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  • 18. Outgoing r'ship FOUND_IN to/from Piper Callosum (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Piper Caninum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Piper Chaba (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Piper Crassinervium (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Piper Cubeba (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Piper Diffusum (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Piper Dilatatum (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Piper Divaricatum (Plant) Rel Props:Reference:
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  • 27. Outgoing r'ship FOUND_IN to/from Piper Futokadsura (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Piper Griffthii (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Piper Guineense (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Piper Hamiltonii (Plant) Rel Props:Reference:
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  • 33. Outgoing r'ship FOUND_IN to/from Piper Hookeri (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Piper Hostmannianum (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Piper Kadsura (Plant) Rel Props:Reference:
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  • 37. Outgoing r'ship FOUND_IN to/from Piper Longum (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Piper Marginatum (Plant) Rel Props:Reference:
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  • 40. Outgoing r'ship FOUND_IN to/from Piper Mullesua (Plant) Rel Props:Reference:
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  • 42. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Piper Officinarum (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Piper Pedicellatum (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Piper Pedicellosum (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Piper Peepuloides (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Piper Polysyphorum (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Piper Puberulum (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Piper Regnellii (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Piper Retrofractum (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Piper Sanctum (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Piper Sarmentosum (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Piper Schmidtii (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Piper Spp (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Piper Sylvaticum (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Piper Taboganum (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Piper Taiwanense (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Piper Thomsonii (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Piper Trichostachyon (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Piper Trioicum (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Piper Tuberculatum (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Piper Umbellatum (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Piper Wallichii (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Piper Wightii (Plant) Rel Props:Reference:
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