| Compound | Javanicoside B |
| NPACT-Id | NPACT00691 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 11169907 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | NLCZJLRVAIBIDP-FCODWIRGSA-N |
| InChi | 1S/C32H44O16/c1-11(2)6-17(34)48-22-24-31-10-44-32(24,29(42)43-5)26(40)21(38)23(31)30(4)13(8-16(31)47-27(22)41)12(3)7-14(25(30)39)45-28-20(37)19(36)18(35)15(9-33)46-28/h7,11-13,15-16,18-24,26,28,33,35-38,40H,6,8-10H2,1-5H3/t12-,13+,15-,16-,18-,19+,20-,21-, |
| SMILES | O1[C@]2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)CC(C)C)[C@@H](C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C5=O)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)OC |
|
SMART | [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])[C@@]([H])(C([H])([H])[H])[C@]3([H])C([H])([H])[C@@]4([H])OC(=O)[C@]([H])(OC(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H])[C@@]5([H])[C@@]6(OC([H])([H])[C@]45[C@]([H])([C@@]([H])(O[H])[C@]6([H])O[H])[C@]3(C2=O)C([H])([H])[H])C(=O)OC([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C540731 |
| 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 |