| Compound | Brunneogaleatoside |
| NPACT-Id | NPACT01151 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 45027872 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | WDVZASUHGJGVQO-WNSOISRNSA-N |
| InChi | 1S/C27H34O13/c1-27(34)11-10-15-18(23(33)35-2)24(36-3)39-25(19(15)27)40-26-22(32)21(31)20(30)16(38-26)12-37-17(29)9-6-13-4-7-14(28)8-5-13/h4-9,16,19-22,24-26,28,30-32,34H,10-12H2,1-3H3/b9-6+/t16?,19?,20?,21?,22?,24-,25+,26?,27+/m1/s1 |
| SMILES | O1[C@@H](OC2OC(C(O)C(O)C2O)COC(=O)/C=C/c2ccc(O)cc2)C2[C@@](O)(CCC2=C([C@@H]1OC)C(=O)OC)C |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@]3([H])O[C@@]([H])(OC([H])([H])[H])C(C(=O)OC([H])([H])[H])=C4C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])[C@]34[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])=C1[H] |
| CAS No. | - |
|
Structure
Download | 
|
| 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 | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |