| Compound | Alpha-Mangostin |
| NPACT-Id | NPACT00237 |
| IUPAC | 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
| Synonyms | Mangostin;Mangostine;9H-Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-;Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-;Mangosteen extract |
| PubChem Id | 5281650 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CASP3 | CASP8 | CASP9 | CCND1 | CDK2 | CDK4 | CDK6 | CDK7 | CDKN1A | CHEK-2 | CYCS | MAPK7 | PCNA | All | |
| Properties | Physical Elemental Topological |
| InChi Key | GNRIZKKCNOBBMO-UHFFFAOYSA-N |
| InChi | 1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 |
| SMILES | o1c2c(c(CC=C(C)C)c(OC)c(O)c2)c(=O)c2c1cc(O)c(c2O)CC=C(C)C |
|
SMART | [H]OC1=C([H])C2=C(C(=O)C3=C(O2)C([H])=C(O[H])C(=C3O[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=C1OC([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 6147-11-1 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C021053 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Amadis Chemical, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, Therapeutic Targets
Database, TimTec, ZINC, |
| 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 |