2-[(2S)-4-methoxy-7-methyl-5-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (Z)-2-methylbut-2-enoate
| Internal ID | 35d2bd90-3b64-49be-8725-fb4fc971ec1b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones > Furanochromones |
| IUPAC Name | 2-[(2S)-4-methoxy-7-methyl-5-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)C |
| InChI | InChI=1S/C21H24O6/c1-7-11(2)20(23)27-21(4,5)17-9-13-15(26-17)10-16-18(19(13)24-6)14(22)8-12(3)25-16/h7-8,10,17H,9H2,1-6H3/b11-7-/t17-/m0/s1 |
| InChI Key | KAGWZYJXIXLTRQ-GJBHZFNWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 2-[(2S)-4-methoxy-7-methyl-5-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/edc597c0-85b7-11ee-a60a-9558c0015554.jpg "2D Structure of 2-[(2S)-4-methoxy-7-methyl-5-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (Z)-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.72% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.00% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.65% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.58% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.97% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.31% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.08% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.47% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.20% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.90% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.49% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.55% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.96% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.85% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.62% | 93.65% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.13% | 96.77% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.04% | 93.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.07% | 96.95% |
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.
| Prionosciadium thapsoides |
| PubChem | 25158176 |
| LOTUS | LTS0073289 |
| wikiData | Q103815831 |