7-[4-(4-Hydroxy-4-methyl-5-oxooxolan-2-yl)-3-methylbut-2-enoxy]-8-methoxychromen-2-one
| Internal ID | b8f4069b-e2e5-48bb-94ba-a08aa16e5203 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[4-(4-hydroxy-4-methyl-5-oxooxolan-2-yl)-3-methylbut-2-enoxy]-8-methoxychromen-2-one |
| SMILES (Canonical) | CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)CC3CC(C(=O)O3)(C)O |
| SMILES (Isomeric) | CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)CC3CC(C(=O)O3)(C)O |
| InChI | InChI=1S/C20H22O7/c1-12(10-14-11-20(2,23)19(22)26-14)8-9-25-15-6-4-13-5-7-16(21)27-17(13)18(15)24-3/h4-8,14,23H,9-11H2,1-3H3 |
| InChI Key | WIKPBGTZLCOVAL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O7 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 7-[4-(4-Hydroxy-4-methyl-5-oxooxolan-2-yl)-3-methylbut-2-enoxy]-8-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-4-4-hydroxy-4-methyl-5-oxooxolan-2-yl-3-methylbut-2-enoxy-8-methoxychromen-2-one.jpg "2D Structure of 7-[4-(4-Hydroxy-4-methyl-5-oxooxolan-2-yl)-3-methylbut-2-enoxy]-8-methoxychromen-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.14% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.18% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.10% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.88% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.51% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.94% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.54% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.03% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.99% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.90% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.88% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.91% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.60% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.87% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.70% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.65% | 86.33% |
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 | 85283097 |
| LOTUS | LTS0208273 |
| wikiData | Q105306306 |