Methyl 9-acetyloxyoctadec-10-en-12,14-diynoate
| Internal ID | e78cc50c-1e77-40e3-a6d8-181dfe188483 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | methyl 9-acetyloxyoctadec-10-en-12,14-diynoate |
| SMILES (Canonical) | CCCC#CC#CC=CC(CCCCCCCC(=O)OC)OC(=O)C |
| SMILES (Isomeric) | CCCC#CC#CC=CC(CCCCCCCC(=O)OC)OC(=O)C |
| InChI | InChI=1S/C21H30O4/c1-4-5-6-7-8-10-13-16-20(25-19(2)22)17-14-11-9-12-15-18-21(23)24-3/h13,16,20H,4-5,9,11-12,14-15,17-18H2,1-3H3 |
| InChI Key | QIJROIKSYWAAGJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O4 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 5.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.08% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.06% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.26% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.23% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.03% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.34% | 92.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.12% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.88% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.70% | 93.56% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 88.97% | 92.12% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.88% | 95.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.77% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.55% | 85.14% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 86.25% | 95.93% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.99% | 95.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.10% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.84% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.90% | 97.29% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.78% | 98.03% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.40% | 98.59% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.27% | 96.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.02% | 94.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.22% | 94.00% |
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.
To see more specific details click the taxa you are interested in.
| Inulanthera tridens |
| PubChem | 162882160 |
| LOTUS | LTS0144299 |
| wikiData | Q105221430 |