(7-Oxofuro[3,2-g]chromen-4-yl) 2-[3-(3-methylbut-2-enyl)oxiran-2-yl]propanoate
| Internal ID | 0a804969-1cae-4357-bb52-381439584ef7 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
| IUPAC Name | (7-oxofuro[3,2-g]chromen-4-yl) 2-[3-(3-methylbut-2-enyl)oxiran-2-yl]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O6/c1-11(2)4-6-15-19(26-15)12(3)21(23)27-20-13-5-7-18(22)25-17(13)10-16-14(20)8-9-24-16/h4-5,7-10,12,15,19H,6H2,1-3H3 |
| InChI Key | HNYIYHULGLPHKE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 78.30 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (7-Oxofuro[3,2-g]chromen-4-yl) 2-[3-(3-methylbut-2-enyl)oxiran-2-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/7-oxofuro32-gchromen-4-yl-2-3-3-methylbut-2-enyloxiran-2-ylpropanoate.jpg "2D Structure of (7-Oxofuro[3,2-g]chromen-4-yl) 2-[3-(3-methylbut-2-enyl)oxiran-2-yl]propanoate")
| 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 | 99.14% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.69% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.22% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.18% | 94.73% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.95% | 94.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.22% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.80% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.23% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.53% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.32% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.36% | 96.09% |
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.
| Dorstenia contrajerva |
| PubChem | 15126301 |
| LOTUS | LTS0028909 |
| wikiData | Q105031117 |