8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enoxy]chromen-2-one
| Internal ID | f97bdf0d-6ec0-477a-b3e0-9bd17474f924 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enoxy]chromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22O6/c1-12(10-15-11-13(2)20(22)25-15)8-9-24-16-6-4-14-5-7-17(21)26-18(14)19(16)23-3/h4-8,13,15H,9-11H2,1-3H3/b12-8+ |
| InChI Key | FBTBKSRGEOAAEU-XYOKQWHBSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-methoxy-7-e-3-methyl-4-4-methyl-5-oxooxolan-2-ylbut-2-enoxychromen-2-one.jpg "2D Structure of 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enoxy]chromen-2-one")
| 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 | 90.10% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.42% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.29% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.91% | 96.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.77% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.24% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.12% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.12% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.04% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.76% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.94% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.69% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.88% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.31% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.08% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.71% | 94.73% |
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.
| Clausena excavata |
| PubChem | 10689733 |
| LOTUS | LTS0197818 |
| wikiData | Q104992933 |