12-Methyloctadecanoic acid
| Internal ID | 146742ed-8a5d-4db0-a2af-0f7f34bbcb98 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 12-methyloctadecanoic acid |
| SMILES (Canonical) | CCCCCCC(C)CCCCCCCCCCC(=O)O |
| SMILES (Isomeric) | CCCCCCC(C)CCCCCCCCCCC(=O)O |
| InChI | InChI=1S/C19H38O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21) |
| InChI Key | MEBDGIUGSQZVMA-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C19H38O2 |
| Molecular Weight | 298.50 g/mol |
| Exact Mass | 298.287180451 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 7.70 |
| 12-methyl-octadecanoic acid |
| 12-methylstearic acid |
| CHEBI:85058 |
| RefChem:78253 |
| 12-Methyl-octadecanoate |
| NSC625427 |
| SCHEMBL6987074 |
| CHEMBL1993313 |
| LMFA01020211 |
| NSC-625427 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.16% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.84% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.38% | 96.09% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 93.11% | 92.26% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.08% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.83% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.23% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.90% | 85.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.66% | 90.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.20% | 92.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.65% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.11% | 97.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.78% | 93.31% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.16% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.58% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.29% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.40% | 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 | 361942 |
| LOTUS | LTS0125105 |
| wikiData | Q27158307 |