| Compound | 28-deoxonimbolide |
| NPACT-Id | NPACT00089 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 159573 |
| Class | Terpenoids |
| In-vitro anticancer activity | 7 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CASP3 | CASP8 | CASP9 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | CWGBIWRWBCYASK-DVTNSOTCSA-N |
| InChi | 1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3/t16?,17-,18-,22-,23+,24-,25+,26+,27-/m1/s1 |
| SMILES | O1[C@H]2[C@]([C@@H]([C@@]3([C@H]4[C@H]2OC[C@@]4(C=CC3=O)C)C)CC(=O)OC)(C2=C([C@H](C[C@@H]12)c1ccoc1)C)C |
|
SMART | [H]C1=C([H])C(=C([H])O1)[C@]1([H])C(=C2[C@]([H])(O[C@]3([H])[C@]4([H])OC([H])([H])[C@@]5(C([H])=C([H])C(=O)[C@@](C([H])([H])[H])([C@@]45[H])[C@@]([H])(C([H])([H])C(=O)OC([H])([H])[H])[C@]23C([H])([H])[H])C([H])([H])[H])C1([H])[H])C([H])([H])[H] |
| CAS No. | 83509-42-6 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C062897 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |