5,7-Dihydroxy-2-(2-Hydroxyphenyl)-8-Methoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL2235250 | |
| PubChem: | 5321205 | |
| IUPAC: | 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-4-2-3-5-9(8)17/h2-7,17-18,20H,1H3 | |
| Standard InChI Key: | XCBMYKIKEHGYAR-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1O)O | |
Molecular propeties
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| AlogP: | 2.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 300.06 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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