(Z)-9,12,13-trihydroxyoctadec-10-enoic acid
| Internal ID | 781314da-0aa4-460b-8917-28567989700b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (Z)-9,12,13-trihydroxyoctadec-10-enoic acid |
| SMILES (Canonical) | CCCCCC(C(C=CC(CCCCCCCC(=O)O)O)O)O |
| SMILES (Isomeric) | CCCCCC(C(/C=C\C(CCCCCCCC(=O)O)O)O)O |
| InChI | InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13- |
| InChI Key | MDIUMSLCYIJBQC-YPKPFQOOSA-N |
| Popularity | 7 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 | 3.10 |
| Q27163133 |
| 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 | 97.45% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.15% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.79% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.61% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.32% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.17% | 85.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.31% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 90.10% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.74% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.65% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.36% | 83.82% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.76% | 100.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 84.18% | 92.26% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.52% | 97.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.76% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.62% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.41% | 94.73% |
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.
| Arabidopsis thaliana |
| Deguelia rufescens |
| PubChem | 139031827 |
| LOTUS | LTS0122511 |
| wikiData | Q105194617 |