| Compound | (1S,2S,3R)-(+)-Isopicrodeoxypodophyllotoxin |
| NPACT-Id | NPACT01045 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 9978176 |
| Class | Lignans |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ZGLXUQQMLLIKAN-QTJFZDIUSA-N |
| InChi | 1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19-,20+/m0/s1 |
| SMILES | O1C[C@H]2[C@H]([C@H](c3c(C2)cc2OCOc2c3)c2cc(OC)c(OC)c(OC)c2)C1=O |
|
SMART | [H]C1=C2C(=C([H])C3=C1OC([H])([H])O3)[C@]([H])(C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])[C@]1([H])C(=O)OC([H])([H])[C@]1([H])C2([H])[H] |
| 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 | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |