Methyl 3,11-dihydroxytetradecanoate
| Internal ID | fa8f95e1-9ca2-4371-ba05-aaf0362a06ed |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | methyl 3,11-dihydroxytetradecanoate |
| SMILES (Canonical) | CCCC(CCCCCCCC(CC(=O)OC)O)O |
| SMILES (Isomeric) | CCCC(CCCCCCCC(CC(=O)OC)O)O |
| InChI | InChI=1S/C15H30O4/c1-3-9-13(16)10-7-5-4-6-8-11-14(17)12-15(18)19-2/h13-14,16-17H,3-12H2,1-2H3 |
| InChI Key | XVHIDNDUMNPTQW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H30O4 |
| Molecular Weight | 274.40 g/mol |
| Exact Mass | 274.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.01% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.26% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.63% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.09% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.55% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.90% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.64% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.60% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.26% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.19% | 91.11% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 83.19% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.15% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.71% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.01% | 91.19% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.98% | 92.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.69% | 96.00% |
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.
| Ipomoea nil |
| PubChem | 13940715 |
| LOTUS | LTS0221807 |
| wikiData | Q105342889 |