alpha-Cotonefuran
PubChem CID: 185311
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | alpha-Cotonefuran, 93973-22-9, 3,4,6-trimethoxydibenzofuran-2,7-diol, a-Cotonefuran, 2,7-Dibenzofurandiol, 3,4,6--trimethoxy-, C08739, CHEBI:10222, DTXSID10916800, 2,7-Trihydroxy-3,4,6-trimethoxydibenzofuran, 3,4,6-trimethoxydibenzo[b,d]furan-2,7-diol, Q27108603, 5,6,10-trimethoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4,11-diol |
|---|---|
| Topological Polar Surface Area | 81.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,6-trimethoxydibenzofuran-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHQNKPHNRFEQQD-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.858 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.926 |
| Compound Name | alpha-Cotonefuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.079 |
| Formal Charge | 0.0 |
| 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 | -3.707875438095238 |
| Inchi | InChI=1S/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3 |
| Smiles | COC1=C(C=CC2=C1OC3=C(C(=C(C=C23)O)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pholidota Articulata (Plant) Rel Props:Source_db:cmaup_ingredients