Pachypodol
Representations & DB's id
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| ChEBI: | CHEBI:70007 | |
|---|---|---|
| ChEMBL: | CHEMBL165180 | |
| PubChem: | 5281677 | |
| IUPAC: | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3 | |
| Standard InChI Key: | KQFUXLQBMQGNRT-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)O | |
Molecular propeties
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| 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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