6-Hydroxy-2-(5-hydroxy-2-methoxyphenyl)-3,5,7-trimethoxychromen-4-one
PubChem CID: 13939324
Connections displayed (default: 10).
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| Topological Polar Surface Area | 104.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 576.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2-(5-hydroxy-2-methoxyphenyl)-3,5,7-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJOLOVQCXHKMJG-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.991 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.307 |
| Compound Name | 6-Hydroxy-2-(5-hydroxy-2-methoxyphenyl)-3,5,7-trimethoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.516857518518519 |
| Inchi | InChI=1S/C19H18O8/c1-23-11-6-5-9(20)7-10(11)17-19(26-4)16(22)14-12(27-17)8-13(24-2)15(21)18(14)25-3/h5-8,20-21H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)O)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