Wogonin 7-O-Glucuronide
Representations & DB's id
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| ChEBI: | CHEBI:61282 | |
|---|---|---|
| ChEMBL: | CHEMBL464732 | |
| PubChem: | 3084961 | |
| IUPAC: | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1 | |
| Standard InChI Key: | LNOHXHDWGCMVCO-NTKSAMNMSA-N | |
| SMILES: | COc1c(O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)cc(c2c1oc(cc2=O)c1ccccc1)O | |
Molecular propeties
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| AlogP: | 0.45 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 4 | |
| Molecular Weight: | 460.1 | |
| Topological polar surface area: | 172 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.273 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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