| Compound | (7R,8S,7'R,8'R)-(+)-7'-acetylpicropodophyllin |
| NPACT-Id | NPACT01050 |
| IUPAC | - |
| Synonyms | (5r,5ar,8as,9r)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl acetate;Picropodophyllin, acetate |
| PubChem Id | 233299 |
| Class | Lignans |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | SASVNKPCTLROPQ-RGXPITOMSA-N |
| InChi | 1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21+,22-/m0/s1 |
| SMILES | O1C[C@H]2[C@H]([C@@H](c3c([C@@H]2OC(=O)C)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])[C@@]2([H])OC(=O)C([H])([H])[H] |
| CAS No. | 4898-57-1 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Kingston Chemistry, ZINC, |
| 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 |