| Compound | Parthenolide |
| NPACT-Id | NPACT00844 |
| IUPAC | - |
| Synonyms | (-)-Parthenolide |
| PubChem Id | 6473881 |
| Class | Terpenoids |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | IL1B | NFKB1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | KTEXNACQROZXEV-SLXBATTESA-N |
| InChi | 1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1 |
| SMILES | O1[C@]2([C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC(=CCC2)C)C |
|
SMART | [H]C([H])=C1C(=O)O[C@]2([H])[C@]3([H])O[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12[H] |
| CAS No. | 20554-84-1 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 020554841 |
| CTD | C002669 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | Ambinter, MolPort, R&D Chemicals, Selleck Chemicals, Therapeutic Targets Database, |
| 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 |