Methyl 10-hydroxy-1-methoxy-4-methyl-5,11-dioxooxepino[4,3-b]chromene-5a-carboxylate
| Internal ID | 61c5f9ab-9398-42fc-b7e0-9907bb5e0a53 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | methyl 10-hydroxy-1-methoxy-4-methyl-5,11-dioxooxepino[4,3-b]chromene-5a-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H14O8/c1-8-7-24-15(22-2)12-13(19)11-9(18)5-4-6-10(11)25-17(12,14(8)20)16(21)23-3/h4-7,18H,1-3H3 |
| InChI Key | OXAJFKDURZRJOW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H14O8 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of Methyl 10-hydroxy-1-methoxy-4-methyl-5,11-dioxooxepino[4,3-b]chromene-5a-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-10-hydroxy-1-methoxy-4-methyl-511-dioxooxepino43-bchromene-5a-carboxylate.jpg "2D Structure of Methyl 10-hydroxy-1-methoxy-4-methyl-5,11-dioxooxepino[4,3-b]chromene-5a-carboxylate")
| 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 | 96.71% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.49% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.24% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.29% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.97% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.04% | 94.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.43% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.10% | 85.14% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 84.58% | 98.44% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.22% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.86% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.16% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.19% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.15% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.11% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 21581883 |
| LOTUS | LTS0044558 |
| wikiData | Q104193919 |