2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran
PubChem CID: 441782
Connections displayed (default: 10).
Loading graph...
| 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 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 81.3 |
| Hydrogen Bond Donor Count | 2.0 |
| 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 |
| Heavy Atom Count | 21.0 |
| Compound Name | 2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran |
| 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. |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 290.27 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,7-trimethoxydibenzofuran-2,8-diol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| 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 |
| Xlogp | 2.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H14O6 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Pterocarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gnaphalium Gaudichaudianum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Rumex Dentatus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Uncaria Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Woodfordia Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients