| Compound | 9,13-diacetyltaxumairol W |
| NPACT-Id | NPACT01107 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 44567148 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | DVKJQAGUQIUCRQ-XUJHPIQJSA-N |
| InChi | 1S/C32H44O14/c1-14-21(41-15(2)33)12-31(29(8,9)39)24(14)25(43-17(4)35)27(44-18(5)36)30(10)22(42-16(3)34)11-23-32(13-40-23,46-20(7)38)26(30)28(31)45-19(6)37/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23+,25+,26-,27-,28-,30-,31-,32-/m0/s1 |
| SMILES | O1[C@H]2[C@](OC(=O)C)([C@@H]3[C@]([C@@H](OC(=O)C)C2)([C@@H](OC(=O)C)[C@H](OC(=O)C)C2=C([C@@H](OC(=O)C)C[C@]2([C@H]3OC(=O)C)C(O)(C)C)C)C)C1 |
|
SMART | [H]O[C@](C([H])([H])[H])(C([H])([H])[H])[C@]12C(=C(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C1([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]1(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@@]3([H])OC([H])([H])[C@@]3(OC(=O)C([H])([H])[H])[C@@]1([H])[C@]2([H])OC(=O)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 |