2-(2,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-benzofuran
PubChem CID: 10265236
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL523477, EBENFURAN I, BDBM50250228, 2-(2,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-benzofuran |
|---|---|
| Topological Polar Surface Area | 83.1 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372 |
| Iupac Name | 4-(5-hydroxy-6-methoxy-1-benzofuran-2-yl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT108 |
| Xlogp | 2.9 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJOUKFLQGCLIOG-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.613 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.92 |
| Compound Name | 2-(2,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-benzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7716871999999997 |
| Inchi | InChI=1S/C15H12O5/c1-19-15-7-13-8(4-12(15)18)5-14(20-13)10-3-2-9(16)6-11(10)17/h2-7,16-18H,1H3 |
| Smiles | COC1=C(C=C2C=C(OC2=C1)C3=C(C=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Onobrychis Ebenoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all