Phylligenin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL457587 | |
| PubChem: | 12314158 | |
| IUPAC: | 4-[(3R,3aS,6S,6aS)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol | |
| Standard InChI: | InChI=1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m1/s1 | |
| Standard InChI Key: | CPJKKWDCUOOTEW-SORVUCRQSA-N | |
| SMILES: | COc1cc(ccc1OC)[C@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(c(c1)OC)O | |
Molecular propeties
| ||
| AlogP: | 3.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 4 | |
| Molecular Weight: | 372.16 | |
| Topological polar surface area: | 66.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.429 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|