2-Methylicosanoic acid
| Internal ID | 9f1cf8d1-a4fb-4567-9f75-d0cceb424885 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 2-methylicosanoic acid |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCC(C)C(=O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCC(C)C(=O)O |
| InChI | InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h20H,3-19H2,1-2H3,(H,22,23) |
| InChI Key | IBZUBRHHBQMYKJ-UHFFFAOYSA-N |
| Popularity | 14 references in papers |
| Molecular Formula | C21H42O2 |
| Molecular Weight | 326.60 g/mol |
| Exact Mass | 326.318480578 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 9.90 |
| 2-Methyleicosanoic acid |
| RefChem:88336 |
| 2-methylicosanoic acid |
| Eicosanoic acid, 2-methyl- |
| Eicosanoic acid, methyl- |
| methyleicosanoic acid |
| SCHEMBL247871 |
| DTXSID60945569 |
| IBZUBRHHBQMYKJ-UHFFFAOYSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.23% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.86% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.67% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.73% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.27% | 92.86% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.68% | 83.82% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.10% | 85.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.41% | 90.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.94% | 87.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.72% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.38% | 96.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.59% | 92.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.02% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.12% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.89% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.13% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.57% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 152458 |
| LOTUS | LTS0074948 |
| wikiData | Q82922953 |