5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-benzofuran-2-yl]benzene-1,3-diol
PubChem CID: 5319926
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 62.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 569.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-benzofuran-2-yl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 7.0 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WLIGMEFLXLMMIP-CAOOACKPSA-N |
| Fcsp3 | 0.28 |
| Logs | -3.703 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.775 |
| Compound Name | 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1-benzofuran-2-yl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.623127620689656 |
| Inchi | InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-9-18-10-11-23(28-4)22-15-24(29-25(18)22)19-12-20(26)14-21(27)13-19/h6,8,10-15,26-27H,5,7,9H2,1-4H3/b17-8+ |
| Smiles | CC(=CCC/C(=C/CC1=C2C(=C(C=C1)OC)C=C(O2)C3=CC(=CC(=C3)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Morus Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients