| Compound | Tubulosine |
| NPACT-Id | NPACT01357 |
| IUPAC | - |
| Synonyms | Marckine;Tubulosan-8'-ol, 10,11-dimethoxy-;10,11-Dimethoxytubulosan-8'-ol;10,11-Dimethoxytubulosanol;Tubulosan-8'-ol,11-dimethoxy-;Tubulosan-8'-ol, 10,11-dimethoxy- (9CI);(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol; |
| PubChem Id | 72341 |
| Class | Alkaloids |
| In-vitro anticancer activity | 8 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | JRVWIILYWSBUMC-PRUVNFMMSA-N |
| InChi | 1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1 |
| SMILES | O(c1cc2[C@H]3N(C[C@@H]([C@H](C3)C[C@H]3NCCc4c3[nH]c3c4cc(O)cc3)CC)CCc2cc1OC)C |
|
SMART | [H]OC1=C([H])C2=C(N([H])C3=C2C([H])([H])C([H])([H])N([H])[C@]3([H])C([H])([H])[C@@]2([H])C([H])([H])[C@]3([H])[N@@](C([H])([H])C([H])([H])C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C34)C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[H])C([H])=C1[H] |
| CAS No. | 2632-29-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 002632293 |
| CTD | C009805 |
| HIT | - |
| NCI-60 GI50 data | 2632-29-3 |
| Suppliers | AAA Chemistry, ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |