9-Hydroxyoctadec-11-enoic acid
| Internal ID | eff3186f-adb3-48aa-a57f-47d5ae5ad07f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 9-hydroxyoctadec-11-enoic acid |
| SMILES (Canonical) | CCCCCCC=CCC(CCCCCCCC(=O)O)O |
| SMILES (Isomeric) | CCCCCCC=CCC(CCCCCCCC(=O)O)O |
| InChI | InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21) |
| InChI Key | KNMSLQJUPUXEQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H34O3 |
| Molecular Weight | 298.50 g/mol |
| Exact Mass | 298.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.70 |
| 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 | 98.45% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.83% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.64% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.44% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.09% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.20% | 89.63% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 92.57% | 97.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.93% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.96% | 93.56% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.70% | 96.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 87.17% | 92.26% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 85.64% | 97.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.25% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.12% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.93% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.80% | 96.47% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.70% | 93.31% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.62% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.68% | 100.00% |
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.
| Sida spinosa |
| PubChem | 91514208 |
| LOTUS | LTS0084247 |
| wikiData | Q105143472 |