| Compound | Podophyllotoxin |
| NPACT-Id | NPACT00872 |
| IUPAC | (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| Synonyms | Podofilox;Condylox;Podophyllotoxin 7 |
| PubChem Id | 10607 |
| Class | Lignans |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | MAPK8 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | YJGVMLPVUAXIQN-XVVDYKMHSA-N |
| InChi | 1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 |
| SMILES | O1C[C@H]2[C@@H]([C@@H](c3c([C@@H]2O)cc2OCOc2c3)c2cc(OC)c(OC)c(OC)c2)C1=O |
|
SMART | [H]O[C@@]1([H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[C@@]([H])(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])[C@@]2([H])C(=O)OC([H])([H])[C@]12[H] |
| CAS No. | 518-28-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000518285 |
| CTD | D011034 |
| HIT | C0083 |
| NCI-60 GI50 data | 518-28-5 |
| Suppliers | ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Biosynth, ChemExper Chemical Directory, ChemMol, Enamine, Hangzhou APIChem
Technology, NIH Clinical Collection, R&D Chemicals, Sigma-Aldrich, Therapeutic Targets Database, TimTec, Vitas-M Laboratory, |
| 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 |