| Compound | Odoroside A |
| NPACT-Id | NPACT00824 |
| IUPAC | 3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| Synonyms | Wallichoside;Somalin;Hongheloside G;Beaumontia grandiflora |
| PubChem Id | 122736 |
| Class | Steroids |
| In-vitro anticancer activity | 10 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | YBZZSZQZDODUAA-UHFFFAOYSA-N |
| InChi | 1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3 |
| 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](CC2)C1=CC(=O)OC1)C |
|
SMART | [H]O[C@]1([H])[C@]([H])(O[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])([H])C([H])([H])[C@@]43O[H])C2([H])[H])C([H])([H])[C@@]1([H])OC([H])([H])[H])C([H])([H])[H] |
| CAS No. | 12708-27-9 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, |
| 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 |