| Compound | Aglafolin |
| NPACT-Id | NPACT00224 |
| IUPAC | - |
| Synonyms | Aglafoline ;Methyl rocaglate ;AGLAFOLIN |
| PubChem Id | 393601 |
| Class | Lignans |
| In-vitro anticancer activity | 16 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | VFTGDXPPYSWBSO-GWNOIRNCSA-N |
| InChi | 1S/C28H28O8/c1-32-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(30)35-4)25(29)27(28,31)24-20(34-3)14-19(33-2)15-21(24)36-28/h5-15,22-23,25,29,31H,1-4H3/t22-,23-,25-,27+,28+/m1/s1 |
| SMILES | O1[C@@]2([C@@](O)([C@H](O)[C@@H]([C@H]2c2ccccc2)C(=O)OC)c2c1cc(OC)cc2OC)c1ccc(OC)cc1 |
|
SMART | [H]O[C@]1([H])[C@]([H])(C(=O)OC([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]2(OC3=C(C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C3[H])[C@]12O[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H] |
| CAS No. | 143901-35-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C077355 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |