5-Hydroxy-5-(hydroxymethyl)hexadecanoic acid
| Internal ID | aa779e45-909f-48ed-93aa-192e7ed784dc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 5-hydroxy-5-(hydroxymethyl)hexadecanoic acid |
| SMILES (Canonical) | CCCCCCCCCCCC(CCCC(=O)O)(CO)O |
| SMILES (Isomeric) | CCCCCCCCCCCC(CCCC(=O)O)(CO)O |
| InChI | InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-13-17(21,15-18)14-11-12-16(19)20/h18,21H,2-15H2,1H3,(H,19,20) |
| InChI Key | JUQSZYLSJUZCDT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H34O4 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.50 |
| 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 | 98.55% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.19% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.32% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.60% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.67% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.11% | 85.94% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 89.94% | 92.26% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.44% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.55% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.46% | 97.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.64% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.76% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.55% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.36% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.30% | 94.73% |
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 | 86208140 |
| LOTUS | LTS0065727 |
| wikiData | Q104169878 |