Przewaquinone A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL578036 | |
| PubChem: | 619402 | |
| IUPAC: | 1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione | |
| Standard InChI: | InChI=1S/C19H18O4/c1-19(2)7-3-4-11-13(19)6-5-12-15(11)17(22)16(21)14-10(8-20)9-23-18(12)14/h5-6,9,20H,3-4,7-8H2,1-2H3 | |
| Standard InChI Key: | CEHVTERMWMYLCP-UHFFFAOYSA-N | |
| SMILES: | OCc1coc2c1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C | |
Molecular propeties
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| AlogP: | 3.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 310.12 | |
| Topological polar surface area: | 67.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.368 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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