2-(2,4-Dihydroxy-5-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
PubChem CID: 14162685
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| Topological Polar Surface Area | 113.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 609.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxy-5-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C20H20O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKNBPJWJECAJSX-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.715 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.394 |
| Compound Name | 2-(2,4-Dihydroxy-5-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.111 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 404.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.329576062068967 |
| Inchi | InChI=1S/C20H20O9/c1-24-14-6-9(10(21)7-11(14)22)13-8-12(23)15-16(25-2)18(26-3)20(28-5)19(27-4)17(15)29-13/h6-8,21-22H,1-5H3 |
| Smiles | COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adiantum Sulphureum (Plant) Rel Props:Source_db:cmaup_ingredients