Methyl 2-(6-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-2-methylpropanoate
| Internal ID | 51febf05-5dd9-4449-bef2-4ed419b34192 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | methyl 2-(6-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-2-methylpropanoate |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C(=O)C=C(C2=O)C(C)(C)C(=O)OC |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)C(=O)C=C(C2=O)C(C)(C)C(=O)OC |
| InChI | InChI=1S/C16H16O5/c1-8-5-10-9(6-12(8)17)13(18)7-11(14(10)19)16(2,3)15(20)21-4/h5-7,17H,1-4H3 |
| InChI Key | PDVXBCUFVOUGIK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O5 |
| Molecular Weight | 288.29 g/mol |
| Exact Mass | 288.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
| 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 | 95.70% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.57% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.40% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.22% | 85.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.37% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.42% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.99% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.38% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.81% | 91.07% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.21% | 90.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.97% | 99.15% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.85% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.83% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.00% | 86.33% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 80.26% | 95.52% |
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.
| Trigonostemon flavidus |
| PubChem | 162866861 |
| LOTUS | LTS0101480 |
| wikiData | Q105206789 |