| Compound | 10,13-dibenzoyltaxacustin |
| NPACT-Id | NPACT01458 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| 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 | IGGUEFIXYNEBRL-GSUSTLCMSA-N |
| InChi | 1S/C42H48O16/c1-20-29(56-37(49)25-13-9-11-15-27(25)47)18-41(39(6,7)51)32(20)33(57-38(50)26-14-10-12-16-28(26)48)35(54-22(3)44)40(8)30(53-21(2)43)17-31-42(19-52-31,58-24(5)46)34(40)36(41)55-23(4)45/h9-16,29-31,33-36,47-48,51H,17-19H2,1-8H3/t29-,30-,31+,33+ |
| SMILES | [C@@H]1([C@@H](C2=C([C@H](C[C@]2([C@H](C2[C@]1([C@H](C[C@@H]1[C@]2(CO1)OC(=O)C)OC(=O)C)C)OC(=O)C)C(C)(O)C)OC(=O)c1c(cccc1)O)C)OC(=O)c1c(cccc1)O)OC(=O)C |
|
SMART | [#6]C(=O)O[C@H]1C[C@H]2OC[C@@]2(OC([#6])=O)C2[C@H](OC([#6])=O)[C@@]3(C[C@H](OC(=O)C4=C(O)C=CC=C4)C([#6])=C3[C@@H](OC(=O)C3=C(O)C=CC=C3)[C@H](OC([#6])=O)[C@]12[#6])C([#6])([#6])O |
| 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 |