methyl 8-[(1S,5R)-5-[(E,2R)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]octanoate
| Internal ID | eb6570a5-a624-458a-abe5-8e0d8820f39a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl 8-[(1S,5R)-5-[(E,2R)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]octanoate |
| SMILES (Canonical) | CC=CC(CC1C(C=CC1=O)CCCCCCCC(=O)OC)O |
| SMILES (Isomeric) | C/C=C/[C@@H](C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)OC)O |
| InChI | InChI=1S/C19H30O4/c1-3-9-16(20)14-17-15(12-13-18(17)21)10-7-5-4-6-8-11-19(22)23-2/h3,9,12-13,15-17,20H,4-8,10-11,14H2,1-2H3/b9-3+/t15-,16-,17+/m0/s1 |
| InChI Key | IXFHTAICVWTTRD-VZLJRYABSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H30O4 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of methyl 8-[(1S,5R)-5-[(E,2R)-2-hydroxypent-3-enyl]-4-oxocyclopent-2-en-1-yl]octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-8-1s5r-5-e2r-2-hydroxypent-3-enyl-4-oxocyclopent-2-en-1-yloctanoate.jpg "2D Structure of methyl 8-[(1S,5R)-5-[(E,2R)-2-hydroxypent-3-enyl]-4-oxocyclopent-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 | 98.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.79% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.95% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.91% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.58% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.36% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.87% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.54% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.53% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.89% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.29% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.05% | 86.33% |
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 | 162964302 |
| LOTUS | LTS0094614 |
| wikiData | Q105122119 |