(-)-Virolin
Representations & DB's id
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| ChEBI: | CHEBI:9365 | |
|---|---|---|
| ChEMBL: | CHEMBL2313009 | |
| PubChem: | 5281868 | |
| IUPAC: | (1R,2R)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol | |
| Standard InChI: | InChI=1S/C22H28O6/c1-7-8-15-9-10-17(18(11-15)24-3)28-14(2)21(23)16-12-19(25-4)22(27-6)20(13-16)26-5/h7-14,21,23H,1-6H3/b8-7+/t14-,21+/m1/s1 | |
| Standard InChI Key: | LNEPYGTUEWFPKT-BUNWUOFNSA-N | |
| SMILES: | C/C=C/c1ccc(c(c1)OC)O[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)OC)O)C | |
Molecular propeties
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| AlogP: | 4.26 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 2 | |
| Molecular Weight: | 388.19 | |
| Topological polar surface area: | 66.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.364 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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