| Compound | Zhankuic acid C |
| NPACT-Id | NPACT01034 |
| IUPAC | (6R)-6-[(3R,4S,10S,12R,13R,14R,17R)-3,12-dihydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid |
| Synonyms | - |
| PubChem Id | 10838646 |
| Class | Terpenoids |
| In-vitro anticancer activity | 10 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BCL2 | CASP3 | PARP1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | LVFHKUZOQUATIE-JPYNITKASA-N |
| InChi | 1S/C29H42O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-21,26,30,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16?,17+,18-,19+,20?,21-,26+,28+,29-/m1/s1 |
| SMILES | O[C@@H]1[C@]2([C@@H](CC[C@@H]2[C@@H](CCC(=C)[C@H](C)C(=O)O)C)C2=C([C@@]3([C@@H]([C@@H]([C@H](O)CC3)C)CC2=O)C)C1=O)C |
|
SMART | [H]OC(=O)[C@]([H])(C(=C(/[H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C3=C(C(=O)[C@]([H])(O[H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C3=O)C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C098428 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |