(9R,10R,11S)-9,10,11-trihydroxyoctadec-12-enoic acid
| Internal ID | 511cc263-0399-412a-a893-432d39d4a7c2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (9R,10R,11S)-9,10,11-trihydroxyoctadec-12-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H34O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h9,12,15-16,18-20,23H,2-8,10-11,13-14H2,1H3,(H,21,22)/t15-,16+,18-/m0/s1 |
| InChI Key | JHGVFGJXFVIYSM-JZXOWHBKSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H34O5 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 3.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.05% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.13% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.74% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.05% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.92% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.84% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.84% | 85.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.09% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 90.64% | 96.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 90.03% | 97.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.35% | 100.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 88.89% | 92.26% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.30% | 96.47% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.80% | 95.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.78% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.76% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.20% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.76% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.73% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.69% | 93.31% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.35% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.15% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.93% | 94.33% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.56% | 95.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.07% | 92.50% |
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.
| Boehmeria nivea |
| PubChem | 162869507 |
| LOTUS | LTS0201249 |
| wikiData | Q105127966 |