(9Z)-12,13-Dihydroxyoctadec-9-enoate
| Internal ID | 32358905-3fdb-4109-bb94-0514fc4b2021 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (Z,12S,13S)-12,13-dihydroxyoctadec-9-enoic acid |
| SMILES (Canonical) | CCCCCC(C(CC=CCCCCCCCC(=O)O)O)O |
| SMILES (Isomeric) | CCCCC[C@@H]([C@H](C/C=C\CCCCCCCC(=O)O)O)O |
| InChI | InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-/t16-,17-/m0/s1 |
| InChI Key | CQSLTKIXAJTQGA-BTDPBSJTSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C18H34O4 |
| Molecular Weight | 314.50 g/mol |
| Exact Mass | 314.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 4.60 |
| (9Z)-12,13-Dihydroxyoctadec-9-enoate |
| (9Z,12S,13S)-12,13-Dihydroxy-9-octadecenoic acid |
| 12S,13S-dihydroxy-9Z-Octadecenoic acid |
| Isoleukotoxin diol |
| 9-Octadecenoic acid, 12,13-dihydroxy-, (9Z,12S,13S)- |
| 12,13-dihydroxy-9Z-octadecenoate |
| 12,13-hydroxyoctadec-9(Z)-enoate |
| LMFA02000302 |
| 12,13-dihydroxyoctadec-9(Z)-enoate |
| 12,13-hydroxyoctadec-9(Z)-enoic 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 | 98.50% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.15% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.01% | 97.29% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 92.43% | 97.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.19% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.53% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.58% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.77% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.98% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.87% | 100.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 86.12% | 92.26% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 86.01% | 97.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.93% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.65% | 93.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.35% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.17% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.92% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.20% | 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.
| Ipomoea nil |
| PubChem | 25320870 |
| LOTUS | LTS0211698 |
| wikiData | Q104968221 |