7-[(3,3-Dimethyloxiran-2-yl)methoxy]-6,8-dimethoxychromen-2-one
| Internal ID | 39945e7c-339a-49a7-928f-2d3b2f2ba44a |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(3,3-dimethyloxiran-2-yl)methoxy]-6,8-dimethoxychromen-2-one |
| SMILES (Canonical) | CC1(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)C |
| SMILES (Isomeric) | CC1(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)C |
| InChI | InChI=1S/C16H18O6/c1-16(2)11(22-16)8-20-14-10(18-3)7-9-5-6-12(17)21-13(9)15(14)19-4/h5-7,11H,8H2,1-4H3 |
| InChI Key | ZJHAMRQWRXSFLI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H18O6 |
| Molecular Weight | 306.31 g/mol |
| Exact Mass | 306.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 7-[(3,3-Dimethyloxiran-2-yl)methoxy]-6,8-dimethoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-33-dimethyloxiran-2-ylmethoxy-68-dimethoxychromen-2-one.jpg "2D Structure of 7-[(3,3-Dimethyloxiran-2-yl)methoxy]-6,8-dimethoxychromen-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 | 96.62% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.59% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.50% | 94.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.50% | 94.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.48% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.20% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.69% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.30% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.99% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.91% | 96.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.60% | 85.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.98% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.95% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.33% | 96.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.78% | 95.83% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.67% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.44% | 98.75% |
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.
| Abrus precatorius |
| Erythrina subumbrans |
| Pterocaulon lanatum |
| Pueraria montana var. lobata |
| Uraria picta |
| Vigna angularis |
| PubChem | 14841895 |
| LOTUS | LTS0199988 |
| wikiData | Q105373232 |