Voucapan-5 Alpha-Ol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2381689 | |
| PubChem: | 73354918 | |
| IUPAC: | (4aR,6aS,7R,11aS,11bR)-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4a-ol | |
| Standard InChI: | InChI=1S/C20H30O2/c1-13-14-6-10-20(21)18(2,3)8-5-9-19(20,4)16(14)12-17-15(13)7-11-22-17/h7,11,13-14,16,21H,5-6,8-10,12H2,1-4H3/t13-,14+,16+,19-,20-/m1/s1 | |
| Standard InChI Key: | UTKODYLDECQIFP-RUTGWLNGSA-N | |
| SMILES: | C[C@@H]1[C@@H]2CC[C@@]3([C@]([C@H]2Cc2c1cco2)(C)CCCC3(C)C)O | |
Molecular propeties
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| AlogP: | 4.91 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 302.22 | |
| Topological polar surface area: | 33.4 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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