| Compound | Paclitaxel |
| NPACT-Id | NPACT00839 |
| IUPAC | - |
| Synonyms | paclitaxel;TAXOL;Yewtaxan;Paxceed;Paxene;Taxol A;Abraxane;Plaxicel;Xorane;Onxol;LipoPac;Paclitaxel (Taxol);Anzatax;Epitaxol;Genaxol;Intaxel;Nanotaxel;Paclical;Pacligel;Paxoral |
| PubChem Id | 36314 |
| Class | Terpenoids |
| In-vitro anticancer activity | 15 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | MAPK1 | PRKACA | All | |
| Properties | Physical Elemental Topological |
| InChi Key | RCINICONZNJXQF-MZXODVADSA-N |
| InChi | 1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6 |
| SMILES | O1[C@H]2[C@](OC(=O)C)([C@@H]3[C@@]([C@@H](O)C2)(C(=O)[C@H](OC(=O)C)C2=C([C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@H]3OC(=O)c3ccccc3)C2(C)C)C)C)C1 |
|
SMART | [H]O[C@@]([H])(C(=O)O[C@]1([H])C(=C2[C@@]([H])(OC(=O)C([H])([H])[H])C(=O)[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]4([H])OC([H])([H])[C@@]4(OC(=O)C([H])([H])[H])[C@@]3([H])[C@]([H])(OC(=O)C3=C([H])C([H])=C([H])C([H])=C3[H])[C@](O[H])(C1([H])[H])[C@]2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H] |
| CAS No. | 33069-62-4 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 033069624 |
| CTD | D017239 |
| HIT | C0480 |
| NCI-60 GI50 data | 33069-62-4 |
| Suppliers | ABI Chem, AKos Consulting & Solutions, Ambinter, MolPort, Sigma-Aldrich, Therapeutic Targets Database, |
| 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 |