Penduletin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL165509 | |
| PubChem: | 5320462 | |
| IUPAC: | 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3 | |
| Standard InChI Key: | YSXFFLGRZJWNFM-UHFFFAOYSA-N | |
| SMILES: | COc1c(oc2c(c1=O)c(O)c(c(c2)OC)OC)c1ccc(cc1)O | |
Molecular propeties
| ||
| AlogP: | 2.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 344.09 | |
| Topological polar surface area: | 94.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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