| Compound | (1S,5S,6R,7S,9R,10S)-5-Methylbutanoyloxy-1,4,9-trihydroxy-2-oxoxanth-11-en-6,12-olide |
| NPACT-Id | NPACT01445 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Terpenoids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | CFNPAWULBAZKEI-HNLLVTNLSA-N |
| InChi | 1S/C20H30O8/c1-6-9(2)18(24)28-17-16-13(11(4)19(25)27-16)8-14(22)12(5)20(17,26)15(23)7-10(3)21/h9-10,12-14,16-17,21-22,26H,4,6-8H2,1-3,5H3/t9?,10?,12-,13?,14+,16+,17-,20?/m0/s1 |
| SMILES | [C@H]1(C([C@H]([C@H]2C(C[C@H]1O)C(=C)C(=O)O2)OC(=O)C(C)CC)(O)C(=O)CC(C)O)C |
|
SMART | [H][C@@]1(O)CC2[C@@H](OC(=O)C2=C)[C@H](OC(=O)C([#6])C[#6])C(O)([C@H]1[#6])C(=O)CC([#6])O |
| CAS No. | - |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |