| Compound | Amygdalin |
| NPACT-Id | NPACT00260 |
| IUPAC | 6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
| Synonyms | amygdalin;D-Amygdalin ;(R)-Amygdalin ;D(-)-Mandelonitrile-beta-D-gentiobioside ;D-Mandelonitrile-beta-D-glucosido-6-beta-D-glucoside |
| PubChem Id | 656516 |
| Class | Carbohydrates |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BAX | BCL2 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
| InChi | 1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1 |
| SMILES | O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H](c1ccccc1)C#N)CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO |
|
SMART | [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@@]([H])(C#N)C3=C([H])C([H])=C([H])C([H])=C3[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| CAS No. | 29883-15-6 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | D000678 |
| HIT | - |
| NCI-60 GI50 data | 29883-15-6 |
| Suppliers | ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, Hangzhou Trylead Chemical Technology, MolPort, R&D Chemicals, Selleck
Chemicals, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |