| Compound | Mangostinone |
| NPACT-Id | NPACT00752 |
| IUPAC | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one |
| Synonyms | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one;9H-Xanthen-9-one, 2-[(2E)-3,7-dimethyl-2,6-octadienyl]-1,3,5-trihydroxy- |
| PubChem Id | 6478778 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | RJLWIAOXQDZMTB-GXDHUFHOSA-N |
| InChi | 1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+ |
| SMILES | o1c2c(c(O)c(C/C=C(/CCC=C(C)C)C)c(O)c2)c(=O)c2c1c(O)ccc2 |
|
SMART | [H]OC1=C([H])C([H])=C([H])C2=C1OC1=C(C2=O)C(O[H])=C(C(O[H])=C1[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
|
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 | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |