2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-3-methylsulfanylprop-2-enoate
| Internal ID | 2516c1ce-7f13-4c8c-95ed-1149e2b1b4b4 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
| IUPAC Name | 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-3-methylsulfanylprop-2-enoate |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C=CSC |
| SMILES (Isomeric) | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)/C=C\SC |
| InChI | InChI=1S/C18H18O5S/c1-18(2,23-17(20)6-7-24-3)15-9-12-8-11-4-5-16(19)22-13(11)10-14(12)21-15/h4-8,10,15H,9H2,1-3H3/b7-6- |
| InChI Key | QYKVXEXDHLGBTM-SREVYHEPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O5S |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.08749484 g/mol |
| Topological Polar Surface Area (TPSA) | 87.10 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-3-methylsulfanylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-7-oxo-23-dihydrofuro32-gchromen-2-ylpropan-2-yl-z-3-methylsulfanylprop-2-enoate.jpg "2D Structure of 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-3-methylsulfanylprop-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.05% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.03% | 94.45% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.25% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.85% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.70% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.37% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.93% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.47% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.12% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.27% | 96.09% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.23% | 93.65% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.15% | 98.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.06% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.28% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.22% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.55% | 99.17% |
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.
| Seseli coronatum |
| PubChem | 90471425 |
| LOTUS | LTS0159779 |
| wikiData | Q105382815 |