| Compound | Cucurbitacin Q |
| NPACT-Id | NPACT00455 |
| IUPAC | 1,5-dihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one |
| Synonyms | - |
| PubChem Id | 5281323 |
| Class | Terpenoids |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | STAT3 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | LMJMTWXDWFWZHV-CWJYERATSA-N |
| InChi | 1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1 |
| SMILES | O[C@H]1[C@@H]([C@@]2([C@]([C@H]3[C@]([C@H]4C(=CC3)C([C@H](O)[C@H](O)C4)(C)C)(C(=O)C2)C)(C1)C)C)[C@](O)(C)C(=O)/C=C/C(OC(=O)C)(C)C |
|
SMART | [H]O[C@]1([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])=C4[C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4(C([H])([H])[H])C([H])([H])[H])[C@@]3(C(=O)C([H])([H])[C@]2(C([H])([H])[H])[C@@]1([H])[C@@](O[H])(C(=O)C([H])=C(/[H])[C@](OC(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 25383-25-9; 51868-64-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C500746 |
| HIT | C0532 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |