(4Bs,8S,8Ar)-8-(Hydroxymethyl)-4B,8-Dimethyl-2-Propan-2-Yl-5,6,7,8A,9,10-Hexahydrophenanthren-3-Ol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3343893 | |
| PubChem: | 21632843 | |
| IUPAC: | (4bS,8S,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol | |
| Standard InChI: | InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3/t18-,19+,20+/m0/s1 | |
| Standard InChI Key: | ZSMYLYMVTJVQIR-XUVXKRRUSA-N | |
| SMILES: | OC[C@@]1(C)CCC[C@]2([C@H]1CCc1c2cc(c(c1)C(C)C)O)C | |
Molecular propeties
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| AlogP: | 4.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 302.22 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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