18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene-17-ynoic acid methyl ester
| Internal ID | 1cae2c25-454f-4621-ba1f-2acbd9e19699 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (E,9R)-11-[(2S,3S)-3-[(Z)-5-bromopent-2-en-4-ynyl]oxiran-2-yl]-9-hydroxyundec-10-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H25BrO4/c19-14-8-4-6-10-16-17(23-16)13-12-15(20)9-5-2-1-3-7-11-18(21)22/h4,6,12-13,15-17,20H,1-3,5,7,9-11H2,(H,21,22)/b6-4-,13-12+/t15-,16+,17+/m1/s1 |
| InChI Key | WYIAGFGZYFISHV-JEISWCHQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H25BrO4 |
| Molecular Weight | 385.30 g/mol |
| Exact Mass | 384.09362 g/mol |
| Topological Polar Surface Area (TPSA) | 70.10 Ų |
| XlogP | 4.10 |
| (E,9R)-11-[(2S,3S)-3-[(Z)-5-bromopent-2-en-4-ynyl]oxiran-2-yl]-9-hydroxyundec-10-enoic acid |
| (E,9R)-11-((2S,3S)-3-((Z)-5-bromopent-2-en-4-ynyl)oxiran-2-yl)-9-hydroxyundec-10-enoic acid |
| RefChem:79327 |
| CHEBI:208067 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.02% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.01% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.47% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.12% | 100.00% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 84.22% | 98.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.72% | 95.17% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 83.63% | 92.26% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 83.09% | 97.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.04% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.53% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.32% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.24% | 96.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.09% | 92.32% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.45% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 139586897 |
| LOTUS | LTS0224162 |
| wikiData | Q77517054 |