methyl (Z,9R)-9-hydroxyoctadec-12-enoate
| Internal ID | 7df3609d-4812-466c-b211-78f95063d73d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | methyl (Z,9R)-9-hydroxyoctadec-12-enoate |
| SMILES (Canonical) | CCCCCC=CCCC(CCCCCCCC(=O)OC)O |
| SMILES (Isomeric) | CCCCC/C=C\CC[C@@H](CCCCCCCC(=O)OC)O |
| InChI | InChI=1S/C19H36O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,18,20H,3-6,8,10-17H2,1-2H3/b9-7-/t18-/m0/s1 |
| InChI Key | CQVPXNVLTFUYEO-CNRGFGOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H36O3 |
| Molecular Weight | 312.50 g/mol |
| Exact Mass | 312.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.69% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.38% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.00% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.43% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.12% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.37% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.92% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.86% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.63% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.61% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.57% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.88% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.74% | 95.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.51% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.93% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.58% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.58% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.24% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.84% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.82% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.43% | 95.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.23% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.03% | 89.34% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.88% | 97.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.21% | 92.50% |
| CHEMBL240 | Q12809 | HERG | 82.69% | 89.76% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.62% | 91.19% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.48% | 95.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.29% | 96.47% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.78% | 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 | 101915234 |
| LOTUS | LTS0212271 |
| wikiData | Q104968295 |