| Compound | 1-O-formyl-4'-demethoxy-3',4'-methylenedioxy-methyl rocaglate |
| NPACT-Id | NPACT00057 |
| IUPAC | methyl(3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Synonyms | - |
| PubChem Id | 9871790 |
| Class | Lignans |
| In-vitro anticancer activity | 11 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | XKYRDXZNJADCQR-SSRNPCBTSA-N |
| InChi | 1S/C29H26O10/c1-33-18-12-21(34-2)25-22(13-18)39-29(17-9-10-19-20(11-17)38-15-37-19)24(16-7-5-4-6-8-16)23(27(31)35-3)26(36-14-30)28(25,29)32/h4-14,23-24,26,32H,15H2,1-3H3/t23?,24-,26?,28+,29+/m1/s1 |
| SMILES | O1[C@@]2([C@@](O)([C@@H](OC=O)[C@@H]([C@H]2c2ccccc2)C(=O)OC)c2c1cc(OC)cc2OC)c1cc2OCOc2cc1 |
|
SMART | [#6]OC(=O)[C@H]1[C@H](OC=O)[C@@]2(O)C3=C(O[#6])C=C(O[#6])C=C3O[C@]2([C@@H]1C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1 |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |