| Compound | Reissantins A |
| NPACT-Id | NPACT00897 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 11763527 |
| Class | Terpenoids |
| In-vitro anticancer activity | 7 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | PEFXNCJFEYSZKT-GXNYSBAXSA-N |
| InChi | 1S/C33H39NO11/c1-18(35)41-22-15-16-31(5,40)33-26(43-29(39)21-13-14-23(37)34(7)17-21)24(30(3,4)45-33)25(42-19(2)36)27(32(22,33)6)44-28(38)20-11-9-8-10-12-20/h8-14,17,22,24-27,40H,15-16H2,1-7H3/t22-,24+,25-,26+,27-,31-,32-,33-/m0/s1 |
| SMILES | O1[C@@]23[C@]([C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)C)[C@H]([C@H]2OC(=O)c2cn(c(=O)cc2)C)C1(C)C)([C@@H](OC(=O)C)CC[C@@]3(O)C)C |
|
SMART | [H]O[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2(C([H])([H])[H])[C@@]([H])(OC(=O)C3=C([H])C([H])=C([H])C([H])=C3[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]3([H])[C@@]([H])(OC(=O)C4=C([H])N(C(=O)C([H])=C4[H])C([H])([H])[H])[C@]12O[C@@]3(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| 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 |