4-Geranyloxy-2,6-Dihydroxybenzophenone
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL510517 | |
| PubChem: | 44575287 | |
| IUPAC: | [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxyphenyl]-phenylmethanone | |
| Standard InChI: | InChI=1S/C23H26O4/c1-16(2)8-7-9-17(3)12-13-27-19-14-20(24)22(21(25)15-19)23(26)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,24-25H,7,9,13H2,1-3H3/b17-12+ | |
| Standard InChI Key: | CPWFSCYLMXLCDK-SFQUDFHCSA-N | |
| SMILES: | C/C(=CCOc1cc(O)c(c(c1)O)C(=O)c1ccccc1)/CCC=C(C)C | |
Molecular propeties
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| AlogP: | 5.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 366.18 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.261 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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