| Compound | 4'-demethyldeoxypodophyllotoxin |
| NPACT-Id | NPACT00155 |
| IUPAC | (5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one |
| Synonyms | - |
| PubChem Id | 160705 |
| Class | Lignans |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | RFDMNXDDRXVJTM-RQUSPXKASA-N |
| InChi | 1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1 |
| SMILES | O1C[C@H]2[C@@H]([C@@H](c3c(C2)cc2OCOc2c3)c2cc(OC)c(O)c(OC)c2)C1=O |
|
SMART | [H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1OC([H])([H])[H])[C@]1([H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2C([H])([H])[C@@]2([H])C([H])([H])OC(=O)[C@]12[H] |
| CAS No. | 40505-27-9 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, 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 |