5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-3,6,8-Trimethoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL77156 | |
| PubChem: | 5386959 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C19H18O9/c1-24-10-7-8(5-6-9(10)20)15-18(26-3)13(22)11-12(21)17(25-2)14(23)19(27-4)16(11)28-15/h5-7,20-21,23H,1-4H3 | |
| Standard InChI Key: | DEQJJTUOVGHXHW-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)c1oc2c(OC)c(O)c(c(c2c(=O)c1OC)O)OC | |
Molecular propeties
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| AlogP: | 2.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 390.1 | |
| Topological polar surface area: | 124 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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