(9R,14S)-9,14-dihydroxyoctadecanoic acid
| Internal ID | 7673d30d-e885-4ad8-a773-760ed54d67dc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (9R,14S)-9,14-dihydroxyoctadecanoic acid |
| SMILES (Canonical) | CCCCC(CCCCC(CCCCCCCC(=O)O)O)O |
| SMILES (Isomeric) | CCCC[C@@H](CCCC[C@@H](CCCCCCCC(=O)O)O)O |
| InChI | InChI=1S/C18H36O4/c1-2-3-11-16(19)13-9-10-14-17(20)12-7-5-4-6-8-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17+/m0/s1 |
| InChI Key | UHSVJNCEYVVOCB-DLBZAZTESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H36O4 |
| Molecular Weight | 316.50 g/mol |
| Exact Mass | 316.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.40 |
| 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 | 97.75% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.73% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.99% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.37% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.95% | 97.29% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 87.70% | 92.26% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.30% | 93.31% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.27% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.10% | 85.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.96% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.92% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.71% | 97.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.39% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.94% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.94% | 95.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.08% | 91.81% |
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.
| Peganum harmala |
| PubChem | 163056343 |
| LOTUS | LTS0109462 |
| wikiData | Q105273076 |