Artersin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3622766 | |
| PubChem: | 10422228 | |
| IUPAC: | (3S,3aS,5aR,6R,9bS)-6-hydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one | |
| Standard InChI: | InChI=1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-11,13,16H,4-7H2,1-3H3/t9-,10-,11+,13-,15-/m0/s1 | |
| Standard InChI Key: | BWOPOAOBPJWDBF-UWSPEPLBSA-N | |
| SMILES: | O=C1O[C@H]2[C@H]([C@@H]1C)CC[C@@]1(C2=C(C)CC[C@H]1O)C | |
Molecular propeties
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| AlogP: | 2.44 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 250.16 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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