2-[(2S,3S)-3-(7-methoxy-2-oxochromen-8-yl)oxiran-2-yl]prop-2-enyl 2,2-dimethylpropanoate
| Internal ID | 53c7ae3a-19cb-4a15-93f8-021a40b7ed0b |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 2-[(2S,3S)-3-(7-methoxy-2-oxochromen-8-yl)oxiran-2-yl]prop-2-enyl 2,2-dimethylpropanoate |
| SMILES (Canonical) | CC(C)(C)C(=O)OCC(=C)C1C(O1)C2=C(C=CC3=C2OC(=O)C=C3)OC |
| SMILES (Isomeric) | CC(C)(C)C(=O)OCC(=C)[C@H]1[C@@H](O1)C2=C(C=CC3=C2OC(=O)C=C3)OC |
| InChI | InChI=1S/C20H22O6/c1-11(10-24-19(22)20(2,3)4)16-18(26-16)15-13(23-5)8-6-12-7-9-14(21)25-17(12)15/h6-9,16,18H,1,10H2,2-5H3/t16-,18-/m0/s1 |
| InChI Key | GNFLJKYGOXGALQ-WMZOPIPTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 74.40 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 2-[(2S,3S)-3-(7-methoxy-2-oxochromen-8-yl)oxiran-2-yl]prop-2-enyl 2,2-dimethylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2s3s-3-7-methoxy-2-oxochromen-8-yloxiran-2-ylprop-2-enyl-22-dimethylpropanoate.jpg "2D Structure of 2-[(2S,3S)-3-(7-methoxy-2-oxochromen-8-yl)oxiran-2-yl]prop-2-enyl 2,2-dimethylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.34% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.45% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.91% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.02% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.96% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.72% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.20% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.31% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.82% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.74% | 94.73% |
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.
| Micromelum minutum |
| PubChem | 163067544 |
| LOTUS | LTS0069490 |
| wikiData | Q105012369 |