| Compound | Bergenin |
| NPACT-Id | NPACT00320 |
| IUPAC | (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Synonyms | bergenin ; Cuscutin |
| PubChem Id | 66065 |
| Class | Tannin |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | YWJXCIXBAKGUKZ-HJJNZUOJSA-N |
| InChi | 1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1 |
| SMILES | O1[C@@H]2[C@H](OC(=O)c3c2c(O)c(OC)c(O)c3)[C@@H](O)[C@H](O)[C@H]1CO |
|
SMART | [H]OC1=C(OC([H])([H])[H])C(O[H])=C2C(=C1[H])C(=O)O[C@@]1([H])[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| CAS No. | 477-90-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | 477-90-7 |
| Suppliers | ABI Chem, Ambinter, IS Chemical Technology, MolPort, Selleck Chemicals, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |