| Compound | (-)-Secoisolariciresinol |
| NPACT-Id | NPACT00005 |
| IUPAC | (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol |
| Synonyms | Secoisolariciresinol |
| PubChem Id | 65373 |
| Class | Lignans |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | PUETUDUXMCLALY-HOTGVXAUSA-N |
| InChi | 1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 |
| SMILES | OC[C@@H]([C@@H](Cc1cc(OC)c(O)cc1)CO)Cc1cc(OC)c(O)cc1 |
|
SMART | [H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C([H])([H])O[H])[C@]([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H] |
| CAS No. | 29388-59-8 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C060283 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, NIH Clinical Collection, R&D Chemicals, Sigma-Aldrich, 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 |