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2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran

PubChem CID: 441782

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Compound Synonyms 2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran, 167278-42-4, 3,4,7-trimethoxydibenzofuran-2,8-diol, 3,4,7-trimethoxydibenzo[b,d]furan-2,8-diol, C08742, CHEBI:961, SCHEMBL4742797, DTXSID00331629, 3,4,7-trimethoxy-2,8-dibenzofurandiol, 2,8-Dihydroxy-3,4,7-trimethoxy-dibenzofuran, Q27105383
Topological Polar Surface Area 81.3
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Description 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran is a member of the class of compounds known as dibenzofurans. Dibenzofurans are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran can be found in pear, which makes 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran a potential biomarker for the consumption of this food product.
Isotope Atom Count 0.0
Molecular Complexity 364.0
Database Name cmaup_ingredients;fooddb_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3,4,7-trimethoxydibenzofuran-2,8-diol
Nih Violation False
Prediction Hob 1.0
Xlogp 2.9
Is Pains False
Molecular Formula C15H14O6
Prediction Swissadme 0.0
Inchi Key BUJOWQKLLDUNTC-UHFFFAOYSA-N
Fcsp3 0.2
Rotatable Bond Count 3.0
Synonyms 2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran, 3,4,7-trimethoxydibenzo[b,d]furan-2,8-diol
Compound Name 2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran
Prediction Hob Swissadme 0.0
Exact Mass 290.079
Formal Charge 0.0
Brenk Violation False
Monoisotopic Mass 290.079
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 290.27
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.707875438095239
Inchi InChI=1S/C15H14O6/c1-18-12-6-11-7(4-9(12)16)8-5-10(17)14(19-2)15(20-3)13(8)21-11/h4-6,16-17H,1-3H3
Smiles COC1=C(C=C2C3=CC(=C(C(=C3OC2=C1)OC)OC)O)O
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Astragalus Pterocarpus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Gnaphalium Gaudichaudianum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Pyrus Communis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Rumex Dentatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Uncaria Cordata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Woodfordia Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients
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