| Compound | Bruceoside C |
| NPACT-Id | NPACT00345 |
| IUPAC | (4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one |
| Synonyms | Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (6alpha,11beta,12alpha)- |
| PubChem Id | 73122 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | TP53 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | ASOOSZCOBHWYHJ-VRLQPTCESA-N |
| InChi | 1S/C32H42O16/c1-11(2)6-16(35)46-24-18-12(3)23(48-28-21(39)20(38)19(37)14(9-33)45-28)13(34)8-30(18,4)25-22(40)26(41)32(29(42)43-5)15-7-17(36)47-27(24)31(15,25)10-44-32/h6,14-15,18-22,24-28,33,37-41H,7-10H2,1-5H3/t14-,15-,18-,19-,20+,21-,22-,24-,25-,26+,27- |
| SMILES | O1[C@]2([C@H]3[C@]4([C@@H]([C@@]5([C@@H]([C@@H](OC(=O)C=C(C)C)[C@H]4OC(=O)C3)C(=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C(=O)C5)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)OC |
|
SMART | [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C(C([H])([H])[H])[C@]3([H])[C@@]([H])(OC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]4([H])OC(=O)C([H])([H])[C@@]5([H])[C@@]6(OC([H])([H])[C@]45[C@]([H])([C@@]([H])(O[H])[C@]6([H])O[H])[C@@]3(C([H])([H])[H])C([H])([H])C2=O)C(=O)OC([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C076182 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |