(2R,5S)-5-hydroxy-5-(hydroxymethyl)-2-methyltetradecanoic acid
| Internal ID | bd741cfb-8f2c-4f63-9523-7a713bf90eca |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (2R,5S)-5-hydroxy-5-(hydroxymethyl)-2-methyltetradecanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-11-16(20,13-17)12-10-14(2)15(18)19/h14,17,20H,3-13H2,1-2H3,(H,18,19)/t14-,16+/m1/s1 |
| InChI Key | CXPGERDAOAFZJT-ZBFHGGJFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H32O4 |
| Molecular Weight | 288.42 g/mol |
| Exact Mass | 288.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.00 |
| 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 | 99.64% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.67% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.25% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.80% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.66% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.64% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.76% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.33% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.58% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.35% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.05% | 87.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.22% | 92.08% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 85.87% | 92.26% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.04% | 90.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.57% | 99.35% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.29% | 96.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.53% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.26% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.93% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.03% | 93.31% |
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 | 10924204 |
| LOTUS | LTS0091439 |
| wikiData | Q104971971 |