[(E)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbonylbut-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
| Internal ID | 8119ac18-5eec-4675-99ee-3f3634526de3 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | [(E)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbonylbut-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
| SMILES (Canonical) | CCC=CCC=CCC=CCCCCCCCC(=O)OCC(=CC)C(=O)OCC=CC1=CC=C(C=C1)OC |
| SMILES (Isomeric) | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC/C(=C\C)/C(=O)OC/C=C/C1=CC=C(C=C1)OC |
| InChI | InChI=1S/C33H46O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32(34)38-28-30(5-2)33(35)37-27-20-21-29-23-25-31(36-3)26-24-29/h5-7,9-10,12-13,20-21,23-26H,4,8,11,14-19,22,27-28H2,1-3H3/b7-6-,10-9-,13-12-,21-20+,30-5+ |
| InChI Key | YYADYZFWYHHMSY-MWJCQKCYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H46O5 |
| Molecular Weight | 522.70 g/mol |
| Exact Mass | 522.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of [(E)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbonylbut-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/25f5ad80-86dd-11ee-9742-813b9420c77c.jpg "2D Structure of [(E)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbonylbut-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate")
| 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 | 98.42% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.69% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.86% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.39% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.38% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.09% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.30% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.23% | 90.00% |
| CHEMBL4070 | P19784 | Casein kinase II alpha (prime) | 84.04% | 91.67% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 80.66% | 90.75% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 80.18% | 96.47% |
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.
| Morina chinensis |
| PubChem | 100948406 |
| LOTUS | LTS0192695 |
| wikiData | Q105368352 |