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(-)-Moracin O

PubChem CID: 42604718

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Compound Synonyms Moracin O, 123702-97-6, (-)-Moracin O, CHEMBL1795432, 5-[(6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol, 1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-, MoracinO, 5-((6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro(3,2-f)(1)benzofuran-2-yl)benzene-1,3-diol, DTXSID201317614, HY-N3244, BDBM50346796, AKOS040760571, DA-55633, MS-24866, CS-0023706, 5-[(11R)-11-(2-hydroxypropan-2-yl)-4,12-dioxatricyclo[7.3.0.0(3),?]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol
Topological Polar Surface Area 83.1
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 457.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id Q16665
Iupac Name 5-[(6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol
Prediction Hob 1.0
Target Id NPT211
Xlogp 3.3
Molecular Formula C19H18O5
Prediction Swissadme 1.0
Inchi Key HMTMYIWMPJSCAZ-GOSISDBHSA-N
Fcsp3 0.2631578947368421
Logs -3.645
Rotatable Bond Count 2.0
Logd 3.058
Compound Name (-)-Moracin O
Prediction Hob Swissadme 1.0
Exact Mass 326.115
Formal Charge 0.0
Monoisotopic Mass 326.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 326.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -4.2602576
Inchi InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1
Smiles CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Abies Alba (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Avicennia Alba (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Basella Alba (Plant) Rel Props:Reference:
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  • 5. Outgoing r'ship FOUND_IN to/from Bryonia Alba (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Caltha Alba (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Canella Alba (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Cepa Alba (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Chiococca Alba (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Cryptocarya Alba (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Datura Alba (Plant) Rel Props:Reference:
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  • 13. Outgoing r'ship FOUND_IN to/from Eria Alba (Plant) Rel Props:Reference:
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  • 18. Outgoing r'ship FOUND_IN to/from Melilotus Alba (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Michelia Alba (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Morus Bombycis (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Morus Cathayana (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Morus Macroma (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Morus Macroura (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Morus Mongolica (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Morus Rubra (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Morus Serrata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Nymphaea Alba (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Plumeria Alba (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Populus Alba (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Potentilla Alba (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Rosa Alba (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Salix Alba (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Sida Alba (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Sinapis Alba (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Sonneratia Alba (Plant) Rel Props:Reference:
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