2-(7-Oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propyl 3-methylbut-2-enoate
| Internal ID | d49535eb-6e89-4849-b591-f754352570d1 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
| IUPAC Name | 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propyl 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(COC(=O)C=C(C)C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 |
| SMILES (Isomeric) | CC(COC(=O)C=C(C)C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 |
| InChI | InChI=1S/C19H20O5/c1-11(2)6-19(21)22-10-12(3)15-8-14-7-13-4-5-18(20)24-16(13)9-17(14)23-15/h4-7,9,12,15H,8,10H2,1-3H3 |
| InChI Key | FZZIJTGITFAJET-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.10 |
| 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propyl 3-methylbut-2-enoate |
| 2-(7-Oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl)propyl 3-methylbut-2-enoate |
![2D Structure of 2-(7-Oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propyl 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-7-oxo-23-dihydrofuro32-gchromen-2-ylpropyl-3-methylbut-2-enoate.jpg "2D Structure of 2-(7-Oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propyl 3-methylbut-2-enoate")
| 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 | 96.50% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.73% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.71% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.77% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.70% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.14% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.10% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.61% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.61% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.12% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.71% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.05% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.92% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.19% | 96.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.82% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.37% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.22% | 89.50% |
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.
| Eryngium ilicifolium |
| Ferulago aucherii |
| Ferulago sylvatica subsp. confusa |
| Prangos bucharica |
| Prangos didyma |
| Prangos latiloba |
| Prangos uloptera |
| Seseli peucedanoides |
| PubChem | 25785 |
| LOTUS | LTS0210618 |
| wikiData | Q82902160 |