2-[(1S)-1-hydroxyethyl]benzo[f][1]benzofuran-4,9-dione
| Internal ID | 41709225-b6e5-4720-a84a-1ee1974a8c43 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 2-[(1S)-1-hydroxyethyl]benzo[f][1]benzofuran-4,9-dione |
| SMILES (Canonical) | CC(C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O |
| SMILES (Isomeric) | C[C@@H](C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)O |
| InChI | InChI=1S/C14H10O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-7,15H,1H3/t7-/m0/s1 |
| InChI Key | SAXKEWRSGLPYPB-ZETCQYMHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H10O4 |
| Molecular Weight | 242.23 g/mol |
| Exact Mass | 242.05790880 g/mol |
| Topological Polar Surface Area (TPSA) | 67.50 Ų |
| XlogP | 1.80 |
| BDBM50541369 |
![2D Structure of 2-[(1S)-1-hydroxyethyl]benzo[f][1]benzofuran-4,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-1s-1-hydroxyethylbenzof1benzofuran-49-dione.jpg "2D Structure of 2-[(1S)-1-hydroxyethyl]benzo[f][1]benzofuran-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 | 98.22% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.72% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.24% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.30% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.98% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.83% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.65% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.55% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.28% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.05% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.96% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.78% | 93.65% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.55% | 83.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.83% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.32% | 90.71% |
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.
| Ailanthus integrifolia |
| Ekmanianthe longiflora |
| Kigelia africana subsp. africana |
| Tabebuia ochracea |
| PubChem | 156013991 |
| LOTUS | LTS0202710 |
| wikiData | Q105249192 |