(4R,4As,6As,6Br,8R,8As,12As,12Bs,14As,14Bs)-8-Hydroxy-4,4A,6B,8A,11,11,12B,14A-Octamethylicosahydropicen-3(4H)-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL490572 | |
| PubChem: | 44576122 | |
| IUPAC: | (4R,4aS,6aS,6aS,6bR,8R,8aS,12aS,14aS,14bS)-8-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one | |
| Standard InChI: | InChI=1S/C30H50O2/c1-19-20(31)9-10-21-26(19,4)12-11-22-27(21,5)15-16-29(7)23-17-25(2,3)13-14-28(23,6)24(32)18-30(22,29)8/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24+,26+,27-,28-,29-,30+/m0/s1 | |
| Standard InChI Key: | GGDFIZOYFMCDQU-UQZBYOGLSA-N | |
| SMILES: | O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)C[C@H]([C@@]1([C@H]2CC(C)(C)CC1)C)O)C | |
Molecular propeties
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| AlogP: | 7.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 442.38 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.967 | |
| Number of carbons: | 30 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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