| Compound | Linamarin |
| NPACT-Id | NPACT00715 |
| IUPAC | 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile |
| Synonyms | Phaseolunatin |
| PubChem Id | 11128 |
| Class | Organic chemical |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | QLTCHMYAEJEXBT-ZEBDFXRSSA-N |
| InChi | 1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1 |
| SMILES | O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)(C)C#N)CO |
|
SMART | [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@](C#N)(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| CAS No. | 554-35-8 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C005091 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, ZINC, |
| 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 |