6,8-Dihydroxy-3-Hydroxymethylisocoumarin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL539432 | |
| PubChem: | 9990614 | |
| IUPAC: | 6,8-dihydroxy-3-(hydroxymethyl)isochromen-1-one | |
| Standard InChI: | InChI=1S/C10H8O5/c11-4-7-2-5-1-6(12)3-8(13)9(5)10(14)15-7/h1-3,11-13H,4H2 | |
| Standard InChI Key: | BKFBBKNNGTZBPF-UHFFFAOYSA-N | |
| SMILES: | OCc1cc2cc(O)cc(c2c(=O)o1)O | |
Molecular propeties
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| AlogP: | 0.7 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 208.04 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.1 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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