methyl (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoate
| Internal ID | 1a5fb2c2-8cd0-4ab6-885e-22395e5ee58c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoate |
| SMILES (Canonical) | CCC=CCC=CC=COC=CCCCCCCC(=O)OC |
| SMILES (Isomeric) | CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC |
| InChI | InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+ |
| InChI Key | ZHADMZSKNJUERU-BWLZIVRNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H30O3 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of methyl (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-e-9-1e3z6z-nona-136-trienoxynon-8-enoate.jpg "2D Structure of methyl (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.21% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.86% | 96.09% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 92.73% | 90.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.00% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.08% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.99% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.79% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.35% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.02% | 86.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.30% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.61% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.39% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.99% | 97.21% |
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.
| Solanum tuberosum |
| PubChem | 90473125 |
| LOTUS | LTS0006495 |
| wikiData | Q105375537 |