Mearnsetin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL484633 | |
| PubChem: | 10359384 | |
| IUPAC: | 2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3 | |
| Standard InChI Key: | HKEQVXVLTOSXLQ-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O)O | |
Molecular propeties
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| AlogP: | 2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 332.05 | |
| Topological polar surface area: | 137 | |
| 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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