2-Acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione
| Internal ID | 3946ed97-467b-499b-8342-f0e207a97239 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione |
| SMILES (Canonical) | CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O |
| SMILES (Isomeric) | CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O |
| InChI | InChI=1S/C14H8O5/c1-6(15)10-5-8-12(17)11-7(3-2-4-9(11)16)13(18)14(8)19-10/h2-5,16H,1H3 |
| InChI Key | RABXYJBFTPBKKL-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C14H8O5 |
| Molecular Weight | 256.21 g/mol |
| Exact Mass | 256.03717335 g/mol |
| Topological Polar Surface Area (TPSA) | 84.60 Ų |
| XlogP | 2.50 |
| CHEMBL611361 |
| SCHEMBL1450113 |
| RABXYJBFTPBKKL-UHFFFAOYSA-N |
| DTXSID301242535 |
| BDBM50541368 |
| 87549-97-1 |
![2D Structure of 2-Acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione](https://plantaedb.com/storage/docs/compounds/2023/07/2-acetyl-5-hydroxynaphtho23-bfuran-49-dione.jpg "2D Structure of 2-Acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.71% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.23% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.43% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.33% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.51% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.01% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.87% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.10% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.73% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.89% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.40% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.86% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.11% | 91.19% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Handroanthus impetiginosus |
| Newbouldia laevis |
| PubChem | 10015259 |
| NPASS | NPC226578 |
| ChEMBL | CHEMBL611361 |
| LOTUS | LTS0139654 |
| wikiData | Q105232513 |