7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6-methoxychromen-2-one
| Internal ID | 8197e616-1369-4de6-a51e-d6f53d0d84dc |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6-methoxychromen-2-one |
| SMILES (Canonical) | CC1(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2)OC)C |
| SMILES (Isomeric) | CC1([C@H](O1)COC2=C(C=C3C=CC(=O)OC3=C2)OC)C |
| InChI | InChI=1S/C15H16O5/c1-15(2)13(20-15)8-18-12-7-10-9(6-11(12)17-3)4-5-14(16)19-10/h4-7,13H,8H2,1-3H3/t13-/m1/s1 |
| InChI Key | FMXSCHCLGOEVNM-CYBMUJFWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.28 g/mol |
| Exact Mass | 276.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 57.30 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2r-33-dimethyloxiran-2-ylmethoxy-6-methoxychromen-2-one.jpg "2D Structure of 7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6-methoxychromen-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.79% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.27% | 91.11% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 91.21% | 94.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.57% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.19% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.59% | 94.75% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.59% | 85.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.16% | 96.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 84.66% | 92.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.36% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.64% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.21% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.12% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.94% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.78% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.72% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.58% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.18% | 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.
| Pterocaulon alopecuroides |
| Pterocaulon balansae |
| Pterocaulon virgatum |
| PubChem | 26113470 |
| LOTUS | LTS0061777 |
| wikiData | Q104998131 |