(5Z,7E)-8-[(1Z,3Z,6Z)-dodeca-1,3,6-trienoxy]octa-5,7-dienoic acid
| Internal ID | 66f1eced-f69b-4aef-834a-42b027be88e3 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | (5Z,7E)-8-[(1Z,3Z,6Z)-dodeca-1,3,6-trienoxy]octa-5,7-dienoic acid |
| SMILES (Canonical) | CCCCCC=CCC=CC=COC=CC=CCCCC(=O)O |
| SMILES (Isomeric) | CCCCC/C=C\C/C=C\C=C/O/C=C/C=C\CCCC(=O)O |
| InChI | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-23-19-16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-,18-15-,19-16+ |
| InChI Key | NSIJGAYIJGLDGP-WTHXZWFYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (5Z,7E)-8-[(1Z,3Z,6Z)-dodeca-1,3,6-trienoxy]octa-5,7-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5z7e-8-1z3z6z-dodeca-136-trienoxyocta-57-dienoic-acid.jpg "2D Structure of (5Z,7E)-8-[(1Z,3Z,6Z)-dodeca-1,3,6-trienoxy]octa-5,7-dienoic acid")
| 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 | 97.65% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.99% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.29% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.23% | 92.08% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 91.42% | 97.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.74% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.08% | 96.95% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.32% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.62% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.10% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.70% | 93.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.42% | 94.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.32% | 85.94% |
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 | 21774567 |
| LOTUS | LTS0129239 |
| wikiData | Q105185066 |