methyl 2-[(5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-yl)oxy]-4-methoxy-3-(3-methoxy-3-oxoprop-1-enyl)-6-methylbenzoate
| Internal ID | 745a4163-2abe-4a96-8177-f77ee5c7331f |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | methyl 2-[(5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-yl)oxy]-4-methoxy-3-(3-methoxy-3-oxoprop-1-enyl)-6-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H24O11/c1-10-9-13(30-3)12(7-8-14(25)31-4)20(15(10)22(28)32-5)34-21-17-16(18(26)11(2)19(21)27)23(29)35-24(17)33-6/h7-9,24,26-27H,1-6H3 |
| InChI Key | WGIXFHBMTKEIHD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O11 |
| Molecular Weight | 488.40 g/mol |
| Exact Mass | 488.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of methyl 2-[(5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-yl)oxy]-4-methoxy-3-(3-methoxy-3-oxoprop-1-enyl)-6-methylbenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/cecc1d20-833e-11ee-905d-89940b539f29.jpg "2D Structure of methyl 2-[(5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-yl)oxy]-4-methoxy-3-(3-methoxy-3-oxoprop-1-enyl)-6-methylbenzoate")
| 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 | 97.14% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.34% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.68% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.13% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.27% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.67% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.95% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.41% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.23% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.39% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.34% | 93.03% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 83.39% | 98.21% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.31% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.24% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.02% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.43% | 98.75% |
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 | 162907421 |
| LOTUS | LTS0088237 |
| wikiData | Q104200196 |