Lupulone F
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL509584 | |
| PubChem: | 11414391 | |
| IUPAC: | 1-[6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-2-methylpropan-1-one | |
| Standard InChI: | InChI=1S/C15H20O4/c1-8(2)13(17)12-10(16)6-5-9-7-11(15(3,4)18)19-14(9)12/h5-6,8,11,16,18H,7H2,1-4H3 | |
| Standard InChI Key: | SARQIFQXVJEXIY-UHFFFAOYSA-N | |
| SMILES: | CC(C(=O)c1c(O)ccc2c1OC(C2)C(O)(C)C)C | |
Molecular propeties
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| AlogP: | 2.31 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 264.14 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.533 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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