2-(Butoxymethyl)-2-(2,4-dimethylphenyl)oxirane
| Internal ID | 7960615a-9fe5-4166-ad68-9c0b9a767c57 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Xylenes > m-Xylenes |
| IUPAC Name | 2-(butoxymethyl)-2-(2,4-dimethylphenyl)oxirane |
| SMILES (Canonical) | CCCCOCC1(CO1)C2=C(C=C(C=C2)C)C |
| SMILES (Isomeric) | CCCCOCC1(CO1)C2=C(C=C(C=C2)C)C |
| InChI | InChI=1S/C15H22O2/c1-4-5-8-16-10-15(11-17-15)14-7-6-12(2)9-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3 |
| InChI Key | QSBPKEIAKIHAOB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 21.80 Ų |
| XlogP | 3.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.48% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.75% | 98.95% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.80% | 93.18% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.76% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.73% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.54% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.86% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.85% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.41% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.36% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.21% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.80% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.12% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.88% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.44% | 95.89% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.89% | 80.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.30% | 93.56% |
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 |
| Gelsemium elegans |
| PubChem | 163004469 |
| LOTUS | LTS0218920 |
| wikiData | Q105138065 |