Ethyl 9-(3-methyl-5-propylfuran-2-yl)nonanoate
| Internal ID | c0a0df5d-1cbe-4f0b-8e43-7b9b3b6b3ceb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Heterocyclic fatty acids > Furanoid fatty acids |
| IUPAC Name | ethyl 9-(3-methyl-5-propylfuran-2-yl)nonanoate |
| SMILES (Canonical) | CCCC1=CC(=C(O1)CCCCCCCCC(=O)OCC)C |
| SMILES (Isomeric) | CCCC1=CC(=C(O1)CCCCCCCCC(=O)OCC)C |
| InChI | InChI=1S/C19H32O3/c1-4-12-17-15-16(3)18(22-17)13-10-8-6-7-9-11-14-19(20)21-5-2/h15H,4-14H2,1-3H3 |
| InChI Key | LTZIFFGLTJRJOU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H32O3 |
| Molecular Weight | 308.50 g/mol |
| Exact Mass | 308.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 5.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.65% | 89.63% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.76% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.20% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.07% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.42% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.76% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.15% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.99% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.10% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.87% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.31% | 93.65% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.23% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.18% | 92.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.30% | 94.80% |
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 | 21773162 |
| LOTUS | LTS0211814 |
| wikiData | Q105157287 |