methyl (7E,9R,10R,13Z,15Z)-14,16-dibromo-10-hydroxy-9-methoxyhexadeca-7,13,15-trien-5-ynoate
| Internal ID | 9fd31f2b-6a00-4b47-9883-d08bdc81680c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl (7E,9R,10R,13Z,15Z)-14,16-dibromo-10-hydroxy-9-methoxyhexadeca-7,13,15-trien-5-ynoate |
| SMILES (Canonical) | COC(C=CC#CCCCC(=O)OC)C(CCC=C(C=CBr)Br)O |
| SMILES (Isomeric) | CO[C@H](/C=C/C#CCCCC(=O)OC)[C@@H](CC/C=C(/C=C\Br)\Br)O |
| InChI | InChI=1S/C18H24Br2O4/c1-23-17(16(21)10-8-9-15(20)13-14-19)11-6-4-3-5-7-12-18(22)24-2/h6,9,11,13-14,16-17,21H,5,7-8,10,12H2,1-2H3/b11-6+,14-13-,15-9-/t16-,17-/m1/s1 |
| InChI Key | BIGXACZUEACJGU-NDPMDUOGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24Br2O4 |
| Molecular Weight | 464.20 g/mol |
| Exact Mass | 464.00209 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 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 | 96.78% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.51% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.47% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.35% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.53% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.49% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.93% | 96.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.12% | 94.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 86.66% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.02% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.78% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.52% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.22% | 92.88% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.17% | 91.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.89% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.72% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.38% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.14% | 96.47% |
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 | 51002953 |
| LOTUS | LTS0192259 |
| wikiData | Q104936472 |