3-Hydroxy-2-tetradecyloctadec-11-enoic acid
| Internal ID | 78e88f3a-c379-4a02-a949-0a8e13dae496 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 3-hydroxy-2-tetradecyloctadec-11-enoic acid |
| SMILES (Canonical) | CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)O |
| InChI | InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)30(32(34)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,30-31,33H,3-12,14,16-29H2,1-2H3,(H,34,35) |
| InChI Key | YMVMCKYMVINFCX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H62O3 |
| Molecular Weight | 494.80 g/mol |
| Exact Mass | 494.46989584 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 13.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.35% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.60% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.38% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.83% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.41% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.73% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.61% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.60% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.62% | 85.94% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.73% | 97.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.63% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.25% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.60% | 96.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.21% | 93.31% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.19% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.42% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.06% | 100.00% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 81.83% | 97.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.12% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.03% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 131881433 |
| LOTUS | LTS0058530 |
| wikiData | Q105350763 |