2-(Butan-2-yloxymethyl)-2-(2-butan-2-yloxy-4-methylphenyl)oxirane
| Internal ID | 246921fe-b518-427d-a7cb-23161df0eca9 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | 2-(butan-2-yloxymethyl)-2-(2-butan-2-yloxy-4-methylphenyl)oxirane |
| SMILES (Canonical) | CCC(C)OCC1(CO1)C2=C(C=C(C=C2)C)OC(C)CC |
| SMILES (Isomeric) | CCC(C)OCC1(CO1)C2=C(C=C(C=C2)C)OC(C)CC |
| InChI | InChI=1S/C18H28O3/c1-6-14(4)19-11-18(12-20-18)16-9-8-13(3)10-17(16)21-15(5)7-2/h8-10,14-15H,6-7,11-12H2,1-5H3 |
| InChI Key | PPLRKWKEQMDOCT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O3 |
| Molecular Weight | 292.40 g/mol |
| Exact Mass | 292.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 31.00 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.03% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.36% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.34% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.44% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.20% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.07% | 91.11% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.72% | 97.23% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.12% | 93.18% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.51% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.37% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.65% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.06% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.38% | 86.33% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 82.43% | 93.89% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 81.90% | 92.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.16% | 90.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.84% | 100.00% |
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.
| Chiliadenus montanus |
| PubChem | 163072810 |
| LOTUS | LTS0111503 |
| wikiData | Q105212955 |