| Compound | Wikstroelides I |
| NPACT-Id | NPACT01016 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | WSKDOLPSNSWKFH-GJBURWKCSA-N |
| InChi | 1S/C54H84O11/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-43(56)60-36-35-50-47(62-50)44-48-53(38(3)4)46(61-41(7)55)40(6)54(44,42-37-39(5)45(57)52(42,59)49(50)58)65-51(63-48,64-53)34-32-30-28-26-24-21-19-17-15-13-11-9-2/h28,30,32,34,37,40,42,44,46-49,58-59H |
| SMILES | [C@]12([C@H]([C@@]3([C@H]([C@@H]4[C@]5([C@H]1C=C(C2=O)C)[C@H]([C@H]([C@@]1([C@H]4O[C@](O5)(O1)/C=C/C=C/CCCCCCCCCC)C(=C)C)OC(=O)C)C)O3)CCOC(=O)CCCCCCCCCCCCCCC)O)O |
|
SMART | [#6]CCCCCCCCCCCCCCC(=O)OCC[C@]12O[C@H]1[C@H]1[C@@H]3O[C@]4(O[C@@]3([C@H](OC([#6])=O)[C@H]([#6])[C@@]1(O4)[C@H]1C=C([#6])C(=O)[C@]1(O)[C@H]2O)C([#6])=C)C=CC=CCCCCCCCCC[#6] |
| CAS No. | - |
|
Structure
Download | 
|
| 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 |