Methyl 14,14-dibromo-7-hydroxy-4-methoxytetradeca-5,13-dienoate
| Internal ID | 130fb868-446d-49ac-aff0-ec88c2857282 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl 14,14-dibromo-7-hydroxy-4-methoxytetradeca-5,13-dienoate |
| SMILES (Canonical) | COC(CCC(=O)OC)C=CC(CCCCCC=C(Br)Br)O |
| SMILES (Isomeric) | COC(CCC(=O)OC)C=CC(CCCCCC=C(Br)Br)O |
| InChI | InChI=1S/C16H26Br2O4/c1-21-14(11-12-16(20)22-2)10-9-13(19)7-5-3-4-6-8-15(17)18/h8-10,13-14,19H,3-7,11-12H2,1-2H3 |
| InChI Key | IPOHXAFISLFILY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H26Br2O4 |
| Molecular Weight | 442.20 g/mol |
| Exact Mass | 442.01774 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.48% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.69% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.31% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.94% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.38% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.96% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.94% | 97.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.63% | 96.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.55% | 95.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.44% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.83% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.14% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.07% | 91.19% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.07% | 89.34% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.76% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.34% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.32% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.03% | 93.56% |
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 | 75599695 |
| LOTUS | LTS0102950 |
| wikiData | Q105117361 |