| Compound | Wikstroelides D |
| NPACT-Id | NPACT01014 |
| 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 | CQAGSPJZGPVEHB-VZPMQXDSSA-N |
| InChi | 1S/C52H80O11/c1-8-10-12-14-16-18-20-21-22-24-26-28-30-32-41(54)58-35-48-45(60-48)42-46-51(36(3)4)44(59-39(7)53)38(6)52(42,40-34-37(5)43(55)50(40,57)47(48)56)63-49(61-46,62-51)33-31-29-27-25-23-19-17-15-13-11-9-2/h27,29,31,33-34,38,40,42,44-47,56-57H,3,8-2 |
| SMILES | [C@@]123[C@@H]4C=C(C(=O)C4(C([C@]4([C@@H](C2[C@H]2[C@@](C([C@@H]1C)OC(=O)C)(OC(O3)(O2)/C=C/C=C/CCCCCCCCC)C(=C)C)O4)COC(=O)CCCCCCCCCCCCCCC)O)O)C |
|
SMART | [H][C@@]12C=C([#6])C(=O)[C@]1(O)[C@H](O)[C@]1(COC(=O)CCCCCCCCCCCCCC[#6])O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@@]3([C@@H](OC([#6])=O)[C@H]([#6])[C@@]21O4)C([#6])=C)C=CC=CCCCCCCCC[#6] |
| CAS No. | - |
|
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 |