| Compound | Reissantins B |
| NPACT-Id | NPACT00898 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 10485185 |
| Class | Terpenoids |
| In-vitro anticancer activity | 9 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | BCEBTLZBEYCGQV-YXUZDENTSA-N |
| InChi | 1S/C40H43NO13/c1-22(42)49-30-29-32(52-36(47)26-18-19-28(44)41(7)21-26)40(54-37(29,3)4)38(5,48)20-27(51-34(45)24-14-10-8-11-15-24)31(50-23(2)43)39(40,6)33(30)53-35(46)25-16-12-9-13-17-25/h8-19,21,27,29-33,48H,20H2,1-7H3/t27-,29+,30-,31-,32+,33-,38-,39-,40- |
| 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)[C@@H](OC(=O)c1ccccc1)C[C@@]3(O)C)C |
|
SMART | [H]O[C@@]1(C([H])([H])[H])C([H])([H])[C@]([H])(OC(=O)C2=C([H])C([H])=C([H])C([H])=C2[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 |