7-[4-hydroxy-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
| Internal ID | fb414514-57c2-4381-b3e2-91954a60cd7a |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[4-hydroxy-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one |
| SMILES (Canonical) | CC1=CC(OC1=O)C(C(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C)O |
| SMILES (Isomeric) | CC1=CC(OC1=O)C(C(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C)O |
| InChI | InChI=1S/C19H18O6/c1-11(18(21)16-9-12(2)19(22)25-16)7-8-23-14-5-3-13-4-6-17(20)24-15(13)10-14/h3-7,9-10,16,18,21H,8H2,1-2H3 |
| InChI Key | JYYSLADUUKHTSY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 7-[4-hydroxy-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-4-hydroxy-3-methyl-4-4-methyl-5-oxo-2h-furan-2-ylbut-2-enoxychromen-2-one.jpg "2D Structure of 7-[4-hydroxy-3-methyl-4-(4-methyl-5-oxo-2H-furan-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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.35% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.46% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.45% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.27% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.15% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.01% | 97.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.75% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.07% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.43% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.85% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.40% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.77% | 96.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.85% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.75% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.62% | 97.09% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.50% | 93.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.28% | 95.89% |
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 | 162972370 |
| LOTUS | LTS0068041 |
| wikiData | Q105137286 |