(7-Methoxy-2,2-dimethylchromen-6-yl) 2-methylbut-2-enoate
| Internal ID | 3ea51507-1cd4-486d-8160-3cb16ca18c88 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (7-methoxy-2,2-dimethylchromen-6-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H20O4/c1-6-11(2)16(18)20-15-9-12-7-8-17(3,4)21-13(12)10-14(15)19-5/h6-10H,1-5H3 |
| InChI Key | PVFJOSVRFUYPME-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H20O4 |
| Molecular Weight | 288.34 g/mol |
| Exact Mass | 288.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.38% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.38% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.16% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.84% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.43% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.51% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.76% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.67% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.28% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.95% | 89.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.83% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.43% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.14% | 97.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.72% | 96.95% |
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.
| Ageratum conyzoides |
| PubChem | 162843610 |
| LOTUS | LTS0105018 |
| wikiData | Q105215426 |