methyl (3S,11S)-3,11-dihydroxyhexadecanoate
| Internal ID | 0760dcd4-2dff-4899-a0d9-810ebd8f8096 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | methyl (3S,11S)-3,11-dihydroxyhexadecanoate |
| SMILES (Canonical) | CCCCCC(CCCCCCCC(CC(=O)OC)O)O |
| SMILES (Isomeric) | CCCCC[C@@H](CCCCCCC[C@@H](CC(=O)OC)O)O |
| InChI | InChI=1S/C17H34O4/c1-3-4-8-11-15(18)12-9-6-5-7-10-13-16(19)14-17(20)21-2/h15-16,18-19H,3-14H2,1-2H3/t15-,16-/m0/s1 |
| InChI Key | UKFSFTZYOYCURE-HOTGVXAUSA-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) | 66.80 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.10% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.28% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.94% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.65% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.57% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.30% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.11% | 93.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.77% | 94.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.09% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.32% | 91.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.27% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.88% | 97.21% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.64% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.46% | 94.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.34% | 91.81% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.32% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.87% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 83.30% | 95.93% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.18% | 90.24% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.62% | 87.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.89% | 91.19% |
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 | 14703245 |
| LOTUS | LTS0225741 |
| wikiData | Q105274504 |