| Compound | Rosmanol |
| NPACT-Id | NPACT00927 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 455261 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BAX | BID | CASP3 | CASP9 | Fas | FASLG | PARP1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | LCAZOMIGFDQMNC-FSTFFMDFSA-N |
| InChi | 1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16+,17?,20-/m0/s1 |
| SMILES | O1[C@H]2[C@H]3[C@](CCCC3(C)C)(c3c([C@@H]2O)cc(c(O)c3O)C(C)C)C1=O |
|
SMART | [H]OC1=C(C([H])=C2C(=C1O[H])[C@]13C(=O)O[C@@]([H])([C@]1([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])[C@@]2([H])O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 80225-53-2 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C465581 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | 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 |