(2-Hydroxy-3-icosa-5,11,14-trienoyloxypropyl) icosa-5,11,14-trienoate
| Internal ID | e1393536-63ad-4e44-ae5e-b4c34a332d86 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Other hydroxyeicosapolyenoic acids |
| IUPAC Name | (2-hydroxy-3-icosa-5,11,14-trienoyloxypropyl) icosa-5,11,14-trienoate |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCC=CCCCC(=O)OCC(COC(=O)CCCC=CCCCCC=CCC=CCCCCC)O |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCC=CCCCC(=O)OCC(COC(=O)CCCC=CCCCCC=CCC=CCCCCC)O |
| InChI | InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,29-32,41,44H,3-10,15-16,21-28,33-40H2,1-2H3 |
| InChI Key | OBGLNXILEMQTMS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H72O5 |
| Molecular Weight | 669.00 g/mol |
| Exact Mass | 668.53797539 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 13.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.81% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.82% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.55% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.14% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.32% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.87% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.28% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.14% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.48% | 96.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.05% | 97.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.65% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.58% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.49% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.07% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.93% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.60% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.32% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.37% | 86.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.95% | 92.86% |
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.
| Sciadopitys verticillata |
| PubChem | 162911686 |
| LOTUS | LTS0143515 |
| wikiData | Q105188995 |