Syringetin(1-)
PubChem CID: 25202456
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| Compound Synonyms | syringetin(1-), 3',5'-dimethylmyricetin, myricetin 3',5'-dimethyl ether, CHEBI:58412, Q27125771, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-3-olate, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-3-olate |
|---|---|
| Topological Polar Surface Area | 129.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-3-olate |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H13O8- |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZMAPBJVXOGOFT-UHFFFAOYSA-M |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.222 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.325 |
| Compound Name | Syringetin(1-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 345.061 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 345.061 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 345.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4407546 |
| Inchi | InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3/p-1 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients