| Compound | Deoxypodophyllotoxin |
| NPACT-Id | NPACT00495 |
| IUPAC | (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one |
| Synonyms | Anthricin;Desoxypodophyllotoxin;Isoanthricin;Isodeoxypodophyllotoxin |
| PubChem Id | 345501 |
| Class | Lignans |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | TUBG1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | ZGLXUQQMLLIKAN-SVIJTADQSA-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. | 19186-35-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C014451 |
| HIT | C0528 |
| NCI-60 GI50 data | 19186-35-7 |
| 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 |