| Compound | Cucurbitacin J |
| NPACT-Id | NPACT00454 |
| IUPAC | [(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(2R,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate |
| Synonyms | - |
| PubChem Id | 441819 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | FBGLZDYMEULGSX-IDZQOQCMSA-N |
| InChi | 1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3/t16-,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1 |
| SMILES | O[C@H]1[C@@H]([C@@]2([C@]([C@H]3[C@@](C(=O)C2)([C@H]2C(=CC3)C(C(=O)C(=C2)O)(C)C)C)(C1)C)C)[C@](O)(C)C(=O)C[C@@H](O)C(O)(C)C |
|
SMART | [H]OC1=C([H])[C@]2([H])C(=C([H])C([H])([H])[C@@]3([H])[C@]4(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@](O[H])(C(=O)C([H])([H])[C@@]([H])(O[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C(=O)[C@@]23C([H])([H])[H])[C@@](C1=O)(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 5979-41-9 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |