2-(2,6-Dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
PubChem CID: 11057496
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| Topological Polar Surface Area | 115.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,6-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JYFSBQFJQQHJMM-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.658 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.474 |
| Compound Name | 2-(2,6-Dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6576562153846157 |
| Inchi | InChI=1S/C18H16O8/c1-23-11-7-10-13(14(21)16(11)24-2)15(22)18(25-3)17(26-10)12-8(19)5-4-6-9(12)20/h4-7,19-21H,1-3H3 |
| Smiles | COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=C(C=CC=C3O)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Bungei (Plant) Rel Props:Source_db:cmaup_ingredients