| Compound | 5alpha-O-(3'-dimethylamino-3'-phenylpropionyl) taxinine M |
| NPACT-Id | NPACT01096 |
| IUPAC | - |
| Synonyms | 5alpha-O-(3'-Dimethylamino-3'-phenylpropionyl) taxinine M;(2alpha,5alpha,7beta,9alpha,10beta,12alpha)-2,7,9,10-tetrakis(acetyloxy)-5-{[(3R)-3-(dimethylamino)-3-phenylpropanoyl]oxy}-11-hydroxy-13-oxo-12,17-epoxytax-4(20)-en-19-yl benzoate;benzenepropanoic acid, beta-(dimethylamino)-, (1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-5,9,10,11-tetrakis(acetyloxy)-9a-[(benzoyloxy)methyl]tetradecahydro-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxo |
| PubChem Id | 636626 |
| Class | Alkaloids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | OTDMUTOTRRFOKJ-DEDUXKHRSA-N |
| InChi | 1S/C46H55NO15/c1-25-34(62-37(53)21-33(47(8)9)30-16-12-10-13-17-30)22-36(58-26(2)48)45(24-56-42(54)31-18-14-11-15-19-31)38(25)39(59-27(3)49)32-20-35(52)44(7)46(55,43(32,6)23-57-44)41(61-29(5)51)40(45)60-28(4)50/h10-19,32-34,36,38-41,55H,1,20-24H2,2-9H3/t32 |
| SMILES | O1[C@]2([C@@]3(O)[C@]([C@H]([C@@H](OC(=O)C)[C@H]4[C@]([C@@H](OC(=O)C)[C@@H]3OC(=O)C)([C@@H](OC(=O)C)C[C@H](OC(=O)C[C@@H](N(C)C)c3ccccc3)C4=C)COC(=O)c3ccccc3)CC2=O)(C1)C)C |
|
SMART | [H]O[C@]12[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]3(C([H])([H])OC(=O)C4=C([H])C([H])=C([H])C([H])=C4[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[C@@]([H])([N@@](C([H])([H])[H])C([H])([H])[H])C4=C([H])C([H])=C([H])C([H])=C4[H])C(=C([H])[H])[C@@]3([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]3([H])C([H])([H])C(=O)[C@]1(OC([H])([H])[C@]23C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
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Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| 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 |