| Compound | Oleandrin |
| NPACT-Id | NPACT00830 |
| IUPAC | [(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate |
| Synonyms | Neriol;Foliandrin |
| PubChem Id | 10057 |
| Class | Steroids |
| In-vitro anticancer activity | 10 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | FGF2 | JUN | MAPK8 | NFKB1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | JLPDBLFIVFSOCC-KRNKPDPWSA-N |
| InChi | 1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20?,21-,22?,23?,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 |
| SMILES | O[C@@]12[C@@H]3[C@@H]([C@@]4([C@@H](CC3)C[C@@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](OC)C3)C)CC4)C)CC[C@@]1([C@H]([C@@H](OC(=O)C)C2)C1=CC(=O)OC1)C |
|
SMART | [H]O[C@]1([H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]4([H])[C@]3([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C5=C([H])C(=O)OC5([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]43O[H])C2([H])[H])O[C@@]1([H])C([H])([H])[H] |
| CAS No. | 465-16-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000465167 |
| CTD | C021065 |
| HIT | C0575 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, ChemMol, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |