[(1R)-1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] 3-methylbut-2-enoate
| Internal ID | 40304073-ffe2-4f8a-ac1e-bc018fa56720 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | [(1R)-1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] 3-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22O6/c1-11(2)10-16(22)26-20(18(23)12(3)4)17-14(24-5)8-6-13-7-9-15(21)25-19(13)17/h6-10,12,20H,1-5H3/t20-/m1/s1 |
| InChI Key | DKKNKODNHDPWFD-HXUWFJFHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [(1R)-1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r-1-7-methoxy-2-oxochromen-8-yl-3-methyl-2-oxobutyl-3-methylbut-2-enoate.jpg "2D Structure of [(1R)-1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] 3-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.76% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.31% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.00% | 85.30% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.76% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.12% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.06% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.07% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.05% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.04% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.84% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.51% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.98% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.75% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.74% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.38% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.98% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.83% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.78% | 89.00% |
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.
| Murraya paniculata |
| PubChem | 162866469 |
| LOTUS | LTS0071986 |
| wikiData | Q104983416 |