Grifolin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL487804 | |
| PubChem: | 5372312 | |
| IUPAC: | 5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-21(23)14-19(5)15-22(20)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+ | |
| Standard InChI Key: | PZHNKNRPGLTZPO-VZRGJMDUSA-N | |
| SMILES: | C/C(=CCc1c(O)cc(cc1O)C)/CC/C=C(/CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 6.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 1 | |
| Molecular Weight: | 328.24 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.455 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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