2-[(2S)-4-methoxy-7-methyl-5-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 3-methylbut-2-enoate
| Internal ID | d394d6ee-3cc3-42c4-a1b5-0541212b0df0 |
| 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 3-methylbut-2-enoate |
| SMILES (Canonical) | CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)OC(=O)C=C(C)C)OC |
| SMILES (Isomeric) | CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)OC(=O)C=C(C)C)OC |
| InChI | InChI=1S/C21H24O6/c1-11(2)7-18(23)27-21(4,5)17-9-13-15(26-17)10-16-19(20(13)24-6)14(22)8-12(3)25-16/h7-8,10,17H,9H2,1-6H3/t17-/m0/s1 |
| InChI Key | PGWFRPVYUOMSLM-KRWDZBQOSA-N |
| Popularity | 1 reference 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 | 3.90 |
| 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 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2s-4-methoxy-7-methyl-5-oxo-23-dihydrofuro32-gchromen-2-ylpropan-2-yl-3-methylbut-2-enoate.jpg "2D Structure of 2-[(2S)-4-methoxy-7-methyl-5-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.56% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.18% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.60% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.83% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.54% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.63% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.92% | 96.77% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.28% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.07% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.75% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.70% | 97.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.38% | 89.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.15% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.99% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.48% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.23% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.47% | 99.23% |
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 | 25158175 |
| LOTUS | LTS0166130 |
| wikiData | Q105208744 |