| Compound | Lobatosides B |
| NPACT-Id | NPACT00717 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Saponin |
| In-vitro anticancer activity | 11 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | URBHKTLHVWBTBW-UUQCUOHPSA-N |
| InChi | 1S/C59H91NO22/c1-27-46-44(72)45(73)50(77-27)80-48-42(70)34(64)26-76-51(48)81-52(74)59-18-16-53(2,3)21-30(59)29-10-12-37-56(7)23-33(63)49(54(4,5)36(56)14-15-58(37,9)57(29,8)17-19-59)78-35-20-28(25-61)40(68)43(71)47(35)82-60-31(11-13-38(65)66)41(69)32(62)22 |
| SMILES | C1[C@@H]([C@H]2C([C@@H]3[C@@]1([C@H]1[C@@](CC3)([C@]3(C(=CC1)[C@@H]1[C@@](CC3)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](O)CO1)O)O[C@@H]1[C@H]([C@@H]([C@@H](OC(=O)C[C@](CC(=O)C(=O)[C@@H](NO[C@H]3[C@H](O2)C[C@H]([C@@H]([C@H]3O)O)CO)CCC(=O)O)(O)C)[C@@H](O1)C)O)O)C)C)C)(C)C)O |
|
SMART | [#6][C@@H]1O[C@@H]2O[C@@H]3[C@@H](O)[C@H](O)CO[C@H]3OC(=O)[C@]34CC[C@]([#6])([#6])C[C@@H]3C3=CC[C@H]5[C@]6([#6])C[C@H](O)[C@H](O[C@@H]7C[C@@H](CO)[C@H](O)[C@@H](O)[C@H]7ON[C@@H](CCC(O)=O)C(=O)C(=O)C[C@]([#6])(O)CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O)[C@]([#6])([#6])[C@H]6CC[C@@]5([#6])[C@]3([#6])CC4 |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000961295 |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |