5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-3,6,7,8-Tetramethoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL18351 | |
| PubChem: | 369954 | |
| IUPAC: | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O9/c1-24-11-7-6-9(8-10(11)21)15-17(25-2)13(22)12-14(23)18(26-3)20(28-5)19(27-4)16(12)29-15/h6-8,21,23H,1-5H3 | |
| Standard InChI Key: | GVLMRDDSMVCWKB-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1O)c1oc2c(OC)c(OC)c(c(c2c(=O)c1OC)O)OC | |
Molecular propeties
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| AlogP: | 2.91 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 404.11 | |
| Topological polar surface area: | 113 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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