Methyl 13-hydroxydocosanoate
| Internal ID | f7d5c92c-5c13-4846-b2d5-5f178ad3e495 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | methyl 13-hydroxydocosanoate |
| SMILES (Canonical) | CCCCCCCCCC(CCCCCCCCCCCC(=O)OC)O |
| SMILES (Isomeric) | CCCCCCCCCC(CCCCCCCCCCCC(=O)OC)O |
| InChI | InChI=1S/C23H46O3/c1-3-4-5-6-10-13-16-19-22(24)20-17-14-11-8-7-9-12-15-18-21-23(25)26-2/h22,24H,3-21H2,1-2H3 |
| InChI Key | WGEMHCMSJPPUBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H46O3 |
| Molecular Weight | 370.60 g/mol |
| Exact Mass | 370.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 8.80 |
| 13980-18-2 |
| RefChem:157175 |
| Methyl 13-hydroxydocosanoic acid |
| 13-Hydroxydocosanoate methyl ester |
| DTXSID101308549 |
| 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 | 97.63% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.78% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.62% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.54% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.08% | 83.82% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.40% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.11% | 92.86% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.93% | 98.03% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.91% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.89% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.75% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.57% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.95% | 93.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.73% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.07% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.67% | 91.81% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.37% | 96.95% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 83.98% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.90% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.37% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.19% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.09% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.32% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.66% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.53% | 97.21% |
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 | 85633611 |
| LOTUS | LTS0203443 |
| wikiData | Q105304445 |