Alfafuran
PubChem CID: 90703276
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| Compound Synonyms | CHEMBL3422850, Alfafuran, DTXSID301268597, BDBM50083072, 156098-99-6, 2-(3,5-Dihydroxyphenyl)-5,6-benzofurandiol, 2-(3',5'-dihydroxyphenyl)-5,6-dihydroxybenzofuran, 2-(3,5-Dihydroxyphenyl)-5,6-benzofurandiol, 9CI |
|---|---|
| Topological Polar Surface Area | 94.1 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Description | Stress metabolite of Medicago sativa (alfalfa). Alfafuran is found in pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00591 |
| Iupac Name | 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FDARKUSEVNCTHK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.37 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.833 |
| Synonyms | 2-(3,5-Dihydroxyphenyl)-5,6-benzofurandiol, 9CI, Alfafuran |
| Compound Name | Alfafuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 258.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5783303263157897 |
| Inchi | InChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H |
| Smiles | C1=C(C=C(C=C1O)O)C2=CC3=CC(=C(C=C3O2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all