methyl 8-[(1S,5R)-4-oxo-5-[(E)-4-oxopent-2-enyl]cyclopent-2-en-1-yl]octanoate
| Internal ID | 2996ea82-a073-41d8-9e52-45ebe677b9a4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | methyl 8-[(1S,5R)-4-oxo-5-[(E)-4-oxopent-2-enyl]cyclopent-2-en-1-yl]octanoate |
| SMILES (Canonical) | CC(=O)C=CCC1C(C=CC1=O)CCCCCCCC(=O)OC |
| SMILES (Isomeric) | CC(=O)/C=C/C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)OC |
| InChI | InChI=1S/C19H28O4/c1-15(20)9-8-11-17-16(13-14-18(17)21)10-6-4-3-5-7-12-19(22)23-2/h8-9,13-14,16-17H,3-7,10-12H2,1-2H3/b9-8+/t16-,17+/m0/s1 |
| InChI Key | UXBIOVLYAGKGAB-IBHATUTGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O4 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of methyl 8-[(1S,5R)-4-oxo-5-[(E)-4-oxopent-2-enyl]cyclopent-2-en-1-yl]octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-8-1s5r-4-oxo-5-e-4-oxopent-2-enylcyclopent-2-en-1-yloctanoate.jpg "2D Structure of methyl 8-[(1S,5R)-4-oxo-5-[(E)-4-oxopent-2-enyl]cyclopent-2-en-1-yl]octanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.79% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.87% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.15% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.98% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.75% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.73% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.57% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.05% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.63% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.80% | 83.82% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.71% | 94.33% |
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.
| Artemisia anomala |
| PubChem | 162932845 |
| LOTUS | LTS0218195 |
| wikiData | Q105280687 |