[(1R,3S,4S,6R,7S,8R)-3-(Chloromethyl)-6-hydroxy-8-methoxy-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-yl] acetate
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1270552 | |
| PubChem: | 49831714 | |
| IUPAC: | [(1R,3S,4S,6R,7S,8R)-3-(chloromethyl)-6-hydroxy-8-methoxy-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-yl] acetate | |
| Standard InChI: | InChI=1S/C13H17ClO6/c1-6-10-19-11(17-3)9-12(6,16)4-8(18-7(2)15)13(9,5-14)20-10/h8-11,16H,1,4-5H2,2-3H3/t8-,9-,10-,11+,12-,13+/m0/s1 | |
| Standard InChI Key: | ASVGPKHKCRLGBZ-LVTVNPDKSA-N | |
| SMILES: | CO[C@@H]1O[C@H]2O[C@]3([C@@H]1[C@](C2=C)(O)C[C@@H]3OC(=O)C)CCl | |
Molecular propeties
| ||
| AlogP: | 0.56 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 304.07 | |
| Topological polar surface area: | 74.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.769 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|