1-(5-Hydroxy-8-methylnaphtho[1,2-e][1,3]benzoxazol-4-yl)ethanone
| Internal ID | bbac1280-cd0d-4a0c-aff9-39a4b5ee6e58 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 1-(5-hydroxy-8-methylnaphtho[1,2-e][1,3]benzoxazol-4-yl)ethanone |
| SMILES (Canonical) | CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=C3O)C(=O)C)OC=N4 |
| SMILES (Isomeric) | CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=C3O)C(=O)C)OC=N4 |
| InChI | InChI=1S/C18H13NO3/c1-9-4-3-5-12-11(9)6-7-13-15(12)16-18(22-8-19-16)14(10(2)20)17(13)21/h3-8,21H,1-2H3 |
| InChI Key | WZKFZTZFHCBUPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H13NO3 |
| Molecular Weight | 291.30 g/mol |
| Exact Mass | 291.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 63.30 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 1-(5-Hydroxy-8-methylnaphtho[1,2-e][1,3]benzoxazol-4-yl)ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-5-hydroxy-8-methylnaphtho12-e13benzoxazol-4-ylethanone.jpg "2D Structure of 1-(5-Hydroxy-8-methylnaphtho[1,2-e][1,3]benzoxazol-4-yl)ethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.16% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.90% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.28% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.24% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.78% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 94.68% | 93.65% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.20% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.95% | 83.82% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.65% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.29% | 99.15% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.23% | 92.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.48% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.36% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.45% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.26% | 96.00% |
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.
| Salvia yunnanensis |
| PubChem | 11608990 |
| LOTUS | LTS0135989 |
| wikiData | Q105323266 |