Naphtho[2,3-b]furan-4,9-dione, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-
| Internal ID | 2e92748e-c700-4207-8a7a-05068c4f60b1 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O |
| SMILES (Isomeric) | CC(C)(C1CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O |
| InChI | InChI=1S/C15H14O4/c1-15(2,18)11-7-10-12(16)8-5-3-4-6-9(8)13(17)14(10)19-11/h3-6,11,18H,7H2,1-2H3 |
| InChI Key | JEXUSWQCJDSVMY-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H14O4 |
| Molecular Weight | 258.27 g/mol |
| Exact Mass | 258.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.70 |
| 66512-82-1 |
| CHEMBL374765 |
| DTXSID60333588 |
| 2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzo[f]benzofuran-4,9-dione |
| 2-(1-Hydroxy-1-methylethyl)-2,3-dihydronaphtho[2,3-b]furan-4,9-dione |
![2D Structure of Naphtho[2,3-b]furan-4,9-dione, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-](https://plantaedb.com/storage/docs/compounds/2023/11/naphtho23-bfuran-49-dione-23-dihydro-2-1-hydroxy-1-methylethyl-.jpg "2D Structure of Naphtho[2,3-b]furan-4,9-dione, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.16% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.49% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.87% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.04% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.38% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.38% | 93.65% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.80% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.18% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.69% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.24% | 89.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.03% | 85.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.69% | 94.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.60% | 83.00% |
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.
| Avicennia marina |
| Stenocarpus salignus |
| PubChem | 512958 |
| LOTUS | LTS0115914 |
| wikiData | Q82098944 |