| Compound | Hederacolchisides A |
| NPACT-Id | NPACT00645 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 482159 |
| Class | Saponin |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | YADGZOSBSVGMPD-AINJXWRASA-N |
| InChi | 1S/C47H76O17/c1-22-30(51)32(53)34(55)38(60-22)63-36-26(19-48)61-39(35(56)33(36)54)64-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H |
| SMILES | O([C@@H]1[C@]([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CCC(C3)(C)C)C(=O)O)C)(CC2)C)(CC1)C)(CO)C)[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@H](O)[C@H]1O)CO |
|
SMART | [#6][C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)CO[C@H]3O[C@H]3CC[C@@]4([#6])[C@@H](CC[C@]5([#6])[C@@H]4CC=C4[C@@H]6C[C@@]([#6])([#6])CC[C@@]6(CC[C@@]54[#6])C(O)=O)[C@]3([#6])CO)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C412406 |
| 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 |