methyl (5R,6Z,8E,10R,13Z,15Z)-6,14,16-tribromo-5,10-dihydroxyhexadeca-6,8,13,15-tetraenoate
| Internal ID | 2dc52da9-ace7-45ae-bb09-f2e23bb0a174 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl (5R,6Z,8E,10R,13Z,15Z)-6,14,16-tribromo-5,10-dihydroxyhexadeca-6,8,13,15-tetraenoate |
| SMILES (Canonical) | COC(=O)CCCC(C(=CC=CC(CCC=C(C=CBr)Br)O)Br)O |
| SMILES (Isomeric) | COC(=O)CCC[C@H](/C(=C/C=C/[C@@H](CC/C=C(/C=C\Br)\Br)O)/Br)O |
| InChI | InChI=1S/C17H23Br3O4/c1-24-17(23)10-4-9-16(22)15(20)8-3-7-14(21)6-2-5-13(19)11-12-18/h3,5,7-8,11-12,14,16,21-22H,2,4,6,9-10H2,1H3/b7-3+,12-11-,13-5-,15-8-/t14-,16-/m1/s1 |
| InChI Key | PZQIBWALFKMMQV-ZHKWFSSMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H23Br3O4 |
| Molecular Weight | 531.10 g/mol |
| Exact Mass | 529.91260 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.80 |
| 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 | 95.78% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.58% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.22% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.61% | 92.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.51% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.47% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.22% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.85% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.50% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.14% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.46% | 91.07% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.69% | 94.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.59% | 91.24% |
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.
| There are no matching plants. |
| PubChem | 51003012 |
| LOTUS | LTS0071774 |
| wikiData | Q105217085 |