6,8-Dihydroxy-3-Methylisocoumarin
Representations & DB's id
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| ChEBI: | CHEBI:1369 | |
|---|---|---|
| ChEMBL: | CHEMBL559789 | |
| PubChem: | 5280627 | |
| IUPAC: | 6,8-dihydroxy-3-methylisochromen-1-one | |
| Standard InChI: | InChI=1S/C10H8O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h2-4,11-12H,1H3 | |
| Standard InChI Key: | OHHKDUWFPNAEHQ-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)cc(oc2=O)C | |
Molecular propeties
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| AlogP: | 1.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 192.04 | |
| Topological polar surface area: | 66.8 | |
| 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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