9R-hydroxy-10E,12Z-octadecadienoic acid
| Internal ID | eb1573c7-98a9-4cce-b408-92f3b3debb4d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | (9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid |
| SMILES (Canonical) | CCCCCC=CC=CC(CCCCCCCC(=O)O)O |
| SMILES (Isomeric) | CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)O)O |
| InChI | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m0/s1 |
| InChI Key | NPDSHTNEKLQQIJ-WXUVIADPSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H32O3 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.30 |
| 10075-11-3 |
| 9(R)-HODE |
| 9R-hydroxy-10E,12Z-octadecadienoic acid |
| G6CFV4K3WV |
| (9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid |
| UNII-G6CFV4K3WV |
| 10,12-Octadecadienoic acid, 9-hydroxy-, (9R,10E,12Z)- |
| (9R)-9-Hydroxyoctadeca-10E,12Z-dienoic acid |
| alpha-Dimorphecolic acid, (9R)- |
| (9R,10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.43% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.56% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.24% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.51% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.38% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.16% | 97.29% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 90.06% | 97.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.04% | 85.94% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 89.97% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.72% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.23% | 90.17% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 87.49% | 92.26% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.85% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.92% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.39% | 91.81% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.24% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.94% | 96.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.31% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.61% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.42% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.86% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.22% | 96.95% |
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.
| Artemisia armeniaca |
| Carthamus oxyacantha |
| Discopodium penninervium |
| Nidorella welwitschii |
| PubChem | 16061059 |
| LOTUS | LTS0021529 |
| wikiData | Q27147931 |