2-methylprop-2-enyl (2R)-2-hydroperoxypropanoate
| Internal ID | 1aacfb45-679d-4a0f-bdf8-eba89861d8a6 |
| Taxonomy | Organic oxygen compounds > Organic hydroperoxides |
| IUPAC Name | 2-methylprop-2-enyl (2R)-2-hydroperoxypropanoate |
| SMILES (Canonical) | CC(C(=O)OCC(=C)C)OO |
| SMILES (Isomeric) | C[C@H](C(=O)OCC(=C)C)OO |
| InChI | InChI=1S/C7H12O4/c1-5(2)4-10-7(8)6(3)11-9/h6,9H,1,4H2,2-3H3/t6-/m1/s1 |
| InChI Key | NULDVXWORWTDNM-ZCFIWIBFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.17 g/mol |
| Exact Mass | 160.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.04% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.77% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.11% | 83.82% |
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.
| Chamaemelum nobile |
| PubChem | 163062158 |
| LOTUS | LTS0166835 |
| wikiData | Q105185932 |