5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-5,8-dihydrochromen-4-one
PubChem CID: 5319515
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 94.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 650.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-5,8-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C18H18O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QQLSQGGLMCHYTK-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.488 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.772 |
| Compound Name | 5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-5,8-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 346.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 346.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8138770000000004 |
| Inchi | InChI=1S/C18H18O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-7,14,19-20H,8H2,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)CC(=C(C3O)OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Betula Ermanii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients