[(3R,4E,6E,12E)-1,14-dihydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] 3-methylbutanoate
| Internal ID | d961494f-3c21-4e39-a3da-407bc73b6def |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [(3R,4E,6E,12E)-1,14-dihydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] 3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H24O4/c1-17(2)16-19(22)23-18(13-15-21)12-10-8-6-4-3-5-7-9-11-14-20/h6,8-12,17-18,20-21H,13-16H2,1-2H3/b8-6+,11-9+,12-10+/t18-/m0/s1 |
| InChI Key | CFABDDKGSZNDNB-UREPFWARSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O4 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [(3R,4E,6E,12E)-1,14-dihydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/07/3r4e6e12e-114-dihydroxytetradeca-4612-trien-810-diyn-3-yl-3-methylbutanoate.jpg "2D Structure of [(3R,4E,6E,12E)-1,14-dihydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] 3-methylbutanoate")
| 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 | 92.91% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.51% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.76% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.58% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.06% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.95% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.37% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.97% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.89% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.41% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.37% | 96.47% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.24% | 97.21% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.73% | 97.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.20% | 98.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |