Methyl 17-methyloctadeca-5,9-dienoate
Internal ID | 33e24352-833d-4121-8448-1c91e7e15b50 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
IUPAC Name | methyl 17-methyloctadeca-5,9-dienoate |
SMILES (Canonical) | CC(C)CCCCCCC=CCCC=CCCCC(=O)OC |
SMILES (Isomeric) | CC(C)CCCCCCC=CCCC=CCCCC(=O)OC |
InChI | InChI=1S/C20H36O2/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(21)22-3/h4-5,10,12,19H,6-9,11,13-18H2,1-3H3 |
InChI Key | NHXSIXIFXCPYDY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H36O2 |
Molecular Weight | 308.50 g/mol |
Exact Mass | 308.271530387 g/mol |
Topological Polar Surface Area (TPSA) | 26.30 Ų |
XlogP | 6.90 |
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 | 97.06% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.05% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 91.87% | 98.95% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.22% | 95.71% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.79% | 91.11% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.82% | 97.29% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.48% | 97.21% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.28% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.04% | 94.45% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.86% | 100.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.80% | 96.47% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.94% | 93.56% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.84% | 94.33% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.05% | 100.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.44% | 96.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.63% | 91.19% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.99% | 94.73% |
CHEMBL1781 | P11387 | DNA topoisomerase I | 81.67% | 97.00% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.39% | 89.34% |
CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.60% | 92.95% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.00% | 90.71% |
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.
Allamanda cathartica |
PubChem | 162943872 |
LOTUS | LTS0142033 |
wikiData | Q105179647 |