7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]chromen-2-one
| Internal ID | cca8e275-c2a6-4b53-8501-5fd8c29afdd3 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]chromen-2-one |
| SMILES (Canonical) | CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OCC4C(O4)(C)C)C |
| SMILES (Isomeric) | CC1([C@H](O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC[C@@H]4C(O4)(C)C)C |
| InChI | InChI=1S/C19H22O5/c1-18(2)14(23-18)9-12-13(21-10-15-19(3,4)24-15)7-5-11-6-8-16(20)22-17(11)12/h5-8,14-15H,9-10H2,1-4H3/t14-,15-/m1/s1 |
| InChI Key | ICRMRGFEHCUSRS-HUUCEWRRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O5 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 60.60 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2r-33-dimethyloxiran-2-ylmethoxy-8-2r-33-dimethyloxiran-2-ylmethylchromen-2-one.jpg "2D Structure of 7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]chromen-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 | 93.89% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.15% | 94.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.80% | 83.82% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.32% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.22% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.86% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.26% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.71% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.00% | 86.33% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.93% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.70% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.24% | 98.95% |
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.
| Citrus trifoliata |
| PubChem | 163195217 |
| LOTUS | LTS0130435 |
| wikiData | Q104991977 |