Methyl 18-bromooctadeca-9,17-dien-5,7,15-triynoate
| Internal ID | b37fd058-9f14-4ef9-9762-effb00127ad1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl 18-bromooctadeca-9,17-dien-5,7,15-triynoate |
| SMILES (Canonical) | COC(=O)CCCC#CC#CC=CCCCCC#CC=CBr |
| SMILES (Isomeric) | COC(=O)CCCC#CC#CC=CCCCCC#CC=CBr |
| InChI | InChI=1S/C19H21BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-3,16,18H,4,6,8,10,13,15,17H2,1H3 |
| InChI Key | NJEMPHLDPZLATA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21BrO2 |
| Molecular Weight | 361.30 g/mol |
| Exact Mass | 360.07249 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.88% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.97% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.61% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.44% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.13% | 96.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.39% | 96.38% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 86.37% | 95.52% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.01% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.56% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.47% | 89.34% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.99% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.01% | 91.07% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.02% | 97.47% |
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.
| Incarvillea sinensis |
| PubChem | 73074830 |
| LOTUS | LTS0131707 |
| wikiData | Q105306563 |