4-Methyldodecanoic acid
| Internal ID | b238216d-8a6b-4af5-93d2-c6b889920b20 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 4-methyldodecanoic acid |
| SMILES (Canonical) | CCCCCCCCC(C)CCC(=O)O |
| SMILES (Isomeric) | CCCCCCCCC(C)CCC(=O)O |
| InChI | InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-12(2)10-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15) |
| InChI Key | STDXFMGAJMQOFF-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.34 g/mol |
| Exact Mass | 214.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.20 |
| 4-methyl lauric acid |
| Dodecanoic acid, 4-methyl- |
| 19998-93-7 |
| 4-methyl-dodecanoic acid |
| SCHEMBL2222385 |
| DTXSID10401201 |
| CHEBI:180107 |
| LMFA01020063 |
| AKOS024339766 |
| 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 | 97.00% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.97% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.55% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.50% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.89% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.19% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.94% | 89.63% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 88.83% | 92.26% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.92% | 92.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.33% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.26% | 85.94% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.72% | 93.31% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.02% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.81% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.23% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.96% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.40% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.17% | 97.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.95% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.78% | 83.82% |
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.
| Punica granatum |
| PubChem | 4248419 |
| LOTUS | LTS0223136 |
| wikiData | Q82204257 |