| Compound | Rapanone |
| NPACT-Id | NPACT00896 |
| IUPAC | 2,5-dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione |
| Synonyms | 2,5-Dihydroxy-3-tridecyl-[1,4]benzoquinone |
| PubChem Id | 100659 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | AMKNOBHCKRZHIO-UHFFFAOYSA-N |
| InChi | 1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3 |
| SMILES | OC1=C(CCCCCCCCCCCCC)C(=O)C(=CC1=O)O |
|
SMART | [H]OC1=C([H])C(=O)C(O[H])=C(C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| CAS No. | 573-40-0 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C054611 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Amadis Chemical, Ambinter, ChemFrog, MolPort, Oakwood Products, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |