| Compound | Glaucarubolone |
| NPACT-Id | NPACT00627 |
| IUPAC | - |
| Synonyms | (1|A,12|A,15|A)-1,11,12,15-tetrahydroxy-11,20-epoxypicras-3-ene-2,16-dione;(-)-Glaucarubolone;Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,15-tetrahydroxy-, (1.beta.,11.beta.,12.alpha.,15.beta.)-;(-)-Glaucarubolone |
| PubChem Id | 277765 |
| 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 | FJHVIRYYVWNHSM-WHWNBKLNSA-N |
| InChi | 1S/C20H26O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-9,11-15,17,22-24,26H,5-6H2,1-3H3/t8-,9+,11-,12-,13-,14-,15-,17-,18-,19+,20?/m1/s1 |
| SMILES | O1[C@]2(O)[C@H]3[C@@]4([C@H]([C@H]([C@H]2O)C)[C@@H](O)C(=O)O[C@@H]4C[C@@H]2[C@@]3([C@H](O)C(=O)C=C2C)C)C1 |
|
SMART | [H]O[C@@]1([H])C(=O)O[C@]2([H])C([H])([H])[C@@]3([H])C(=C([H])C(=O)[C@@]([H])(O[H])[C@]3(C([H])([H])[H])[C@@]3([H])[C@@]4(O[H])OC([H])([H])[C@@]23[C@]1([H])[C@@]([H])(C([H])([H])[H])[C@@]4([H])O[H])C([H])([H])[H] |
| CAS No. | 1990-01-8 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C024967 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Kingston Chemistry, |
| 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 |