2-(2,5-Dimethoxyphenyl)-6-hydroxy-3,5,7-trimethoxychromen-4-one
PubChem CID: 13939325
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 92.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 591.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,5-dimethoxyphenyl)-6-hydroxy-3,5,7-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H20O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVEYPRYTAMDPCZ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.425 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.591 |
| Compound Name | 2-(2,5-Dimethoxyphenyl)-6-hydroxy-3,5,7-trimethoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 388.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7300635428571436 |
| Inchi | InChI=1S/C20H20O8/c1-23-10-6-7-12(24-2)11(8-10)18-20(27-5)17(22)15-13(28-18)9-14(25-3)16(21)19(15)26-4/h6-9,21H,1-5H3 |
| Smiles | COC1=CC(=C(C=C1)OC)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Ovata (Plant) Rel Props:Source_db:cmaup_ingredients