Compound | Javanicoside F |
NPACT-Id | NPACT00695 |
IUPAC | - |
Synonyms | - |
PubChem Id | 11445415 |
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 | SVLMUIWHTIHSPF-JNNRAAQNSA-N |
InChi | 1S/C33H44O16/c1-6-12(2)7-18(35)49-24-26-32-11-45-33(26,30(43)44-5)27(41)23(40)25(32)31(4)9-15(19(36)13(3)14(31)8-17(32)48-28(24)42)46-29-22(39)21(38)20(37)16(10-34)47-29/h7,9,13-14,16-17,20-27,29,34,37-41H,6,8,10-11H2,1-5H3/b12-7+/t13-,14-,16+,17+,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)/C=C(/CC)C)[C@@H](C(=O)C(=C5)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)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@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])[C@@]4([H])OC(=O)[C@]([H])(OC(=O)C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@@]5([H])[C@@]6(OC([H])([H])[C@]45[C@]3([H])[C@@]([H])(O[H])[C@]6([H])O[H])C(=O)OC([H])([H])[H])[C@@]([H])(C2=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
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 |