1,3-Dihydroxypropan-2-yl 9-hydroxyoctadec-12-enoate
| Internal ID | 5ba845e4-7f5b-4543-b9c7-376706b7f922 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 1,3-dihydroxypropan-2-yl 9-hydroxyoctadec-12-enoate |
| SMILES (Canonical) | CCCCCC=CCCC(CCCCCCCC(=O)OC(CO)CO)O |
| SMILES (Isomeric) | CCCCCC=CCCC(CCCCCCCC(=O)OC(CO)CO)O |
| InChI | InChI=1S/C21H40O5/c1-2-3-4-5-6-8-11-14-19(24)15-12-9-7-10-13-16-21(25)26-20(17-22)18-23/h6,8,19-20,22-24H,2-5,7,9-18H2,1H3 |
| InChI Key | FHSDYFSJAFSCKH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H40O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 4.60 |
| 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 | 98.67% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.47% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.39% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.70% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.08% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.16% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.06% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.97% | 98.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.81% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.43% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.14% | 91.81% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.91% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.82% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.72% | 97.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.17% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.65% | 94.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.25% | 95.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.16% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.85% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.56% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.55% | 91.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.53% | 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 | 163050514 |
| LOTUS | LTS0091796 |
| wikiData | Q104995449 |