[3-Methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl acetate
| Internal ID | 2a98579a-1d57-4b08-907a-d5b3c610f8a5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H42O3/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-22(6)21(25-22)16-24-20(5)23/h17-19,21H,7-16H2,1-6H3 |
| InChI Key | JKDTUPIBGMGXAM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H42O3 |
| Molecular Weight | 354.60 g/mol |
| Exact Mass | 354.31339520 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of [3-Methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-methyl-3-4812-trimethyltridecyloxiran-2-ylmethyl-acetate.jpg "2D Structure of [3-Methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl acetate")
| 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 | 97.94% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.69% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.90% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.39% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.27% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.02% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.73% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.54% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.52% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.94% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.76% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.57% | 89.63% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.98% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.54% | 93.56% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 81.20% | 92.26% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.57% | 97.79% |
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.
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| There are no matching plants. |
| PubChem | 162941071 |
| LOTUS | LTS0206737 |
| wikiData | Q105130156 |