| Compound | Jacaranone |
| NPACT-Id | NPACT00687 |
| IUPAC | methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate |
| Synonyms | methyl(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate;Jacaramome |
| PubChem Id | 73307 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | WJZSKNRPRWCLLK-UHFFFAOYSA-N |
| InChi | 1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3 |
| SMILES | O[C@]1(CC(=O)OC)C=CC(=O)C=C1 |
|
SMART | [H]O[C@@]1(C([H])=C([H])C(=O)C([H])=C1[H])C([H])([H])C(=O)OC([H])([H])[H] |
| CAS No. | 60263-07-2 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C013077 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Ambinter, ChemFrog, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |