9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid
| Internal ID | d76544ac-bceb-48f5-ab0d-a5537c3b52f0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | (9S,10S,11R,12Z,15Z)-9,10,11-trihydroxyoctadeca-12,15-dienoic acid |
| SMILES (Canonical) | CCC=CCC=CC(C(C(CCCCCCCC(=O)O)O)O)O |
| SMILES (Isomeric) | CC/C=C\C/C=C\[C@H]([C@H]([C@H](CCCCCCCC(=O)O)O)O)O |
| InChI | InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1 |
| InChI Key | KFINXCASWPGHEW-YQFBSDGMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H32O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.80 |
| CHEBI:183609 |
| LMFA02000021 |
| (9S,10S,11R,12Z,15Z)-9,10,11-trihydroxyoctadeca-12,15-dienoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.29% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.82% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.82% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.24% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.39% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.80% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.01% | 97.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.06% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.26% | 100.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 82.46% | 92.26% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.99% | 97.00% |
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.
| Capsicum annuum |
| PubChem | 16061055 |
| LOTUS | LTS0108633 |
| wikiData | Q76507171 |