| Compound | 3-isomangostin |
| NPACT-Id | NPACT01029 |
| IUPAC | 3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one |
| Synonyms | 0 |
| PubChem Id | 10048103 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | KCMPFWGUVNEDHW-UHFFFAOYSA-N |
| InChi | 1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3 |
| SMILES | O1C(C(O)Cc2c1cc1oc3c(c(=O)c1c2O)c(CC=C(C)C)c(OC)c(O)c3)(C)C |
|
SMART | [#6]OC1=C(CC=C([#6])[#6])C2=C(OC3=CC4=C(CC(O)C([#6])([#6])O4)C(O)=C3C2=O)C=C1O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C114655 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |