methyl 5-[(2R,5E)-2,6-dimethylocta-5,7-dienyl]furan-3-carboxylate
| Internal ID | b1f5aea4-4391-4ae4-9915-eb4fd178b4af |
| Taxonomy | Organoheterocyclic compounds > Furans > Furoic acid and derivatives > Furoic acid esters |
| IUPAC Name | methyl 5-[(2R,5E)-2,6-dimethylocta-5,7-dienyl]furan-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H22O3/c1-5-12(2)7-6-8-13(3)9-15-10-14(11-19-15)16(17)18-4/h5,7,10-11,13H,1,6,8-9H2,2-4H3/b12-7+/t13-/m1/s1 |
| InChI Key | WAKUNXXLXARPFV-BWODNOAJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H22O3 |
| Molecular Weight | 262.34 g/mol |
| Exact Mass | 262.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of methyl 5-[(2R,5E)-2,6-dimethylocta-5,7-dienyl]furan-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-5-2r5e-26-dimethylocta-57-dienylfuran-3-carboxylate.jpg "2D Structure of methyl 5-[(2R,5E)-2,6-dimethylocta-5,7-dienyl]furan-3-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.51% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.22% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.92% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.15% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.89% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.90% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.84% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.53% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.28% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.01% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.65% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.56% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.53% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.00% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.53% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.16% | 96.95% |
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 | 163185876 |
| LOTUS | LTS0079433 |
| wikiData | Q105300295 |