[4-(7-Methoxy-2-oxochromen-8-yl)-2-methylbut-2-enyl] 2-methylbut-2-enoate
| Internal ID | 855a0c9f-9213-4bab-b11b-280abbaa2cc0 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | [4-(7-methoxy-2-oxochromen-8-yl)-2-methylbut-2-enyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OCC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
| InChI | InChI=1S/C20H22O5/c1-5-14(3)20(22)24-12-13(2)6-9-16-17(23-4)10-7-15-8-11-18(21)25-19(15)16/h5-8,10-11H,9,12H2,1-4H3 |
| InChI Key | QCZLWIMKPBXGDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [4-(7-Methoxy-2-oxochromen-8-yl)-2-methylbut-2-enyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-7-methoxy-2-oxochromen-8-yl-2-methylbut-2-enyl-2-methylbut-2-enoate.jpg "2D Structure of [4-(7-Methoxy-2-oxochromen-8-yl)-2-methylbut-2-enyl] 2-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.85% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.83% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.60% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.40% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.33% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.84% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.08% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.02% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.81% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.42% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.81% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.46% | 96.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.61% | 85.30% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.23% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.73% | 96.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.65% | 85.00% |
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.
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| There are no matching plants. |
| PubChem | 162928791 |
| LOTUS | LTS0081919 |
| wikiData | Q105218680 |