Methyl 7-[2-(acetyloxymethyl)-2-oct-2-enyl-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
| Internal ID | 183778c9-0c43-4c7d-9146-92f484842025 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | methyl 7-[2-(acetyloxymethyl)-2-oct-2-enyl-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H34O5/c1-4-5-6-7-10-13-17-24(19-29-20(2)25)18-16-22(26)21(24)14-11-8-9-12-15-23(27)28-3/h8,10-11,13-14,16,18H,4-7,9,12,15,17,19H2,1-3H3 |
| InChI Key | FFJWZZQBWBDIJB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H34O5 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of Methyl 7-[2-(acetyloxymethyl)-2-oct-2-enyl-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-7-2-acetyloxymethyl-2-oct-2-enyl-5-oxocyclopent-3-en-1-ylidenehept-5-enoate.jpg "2D Structure of Methyl 7-[2-(acetyloxymethyl)-2-oct-2-enyl-5-oxocyclopent-3-en-1-ylidene]hept-5-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.71% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.03% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.83% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.85% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.74% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.54% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.00% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.40% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.95% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.43% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.31% | 85.30% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.75% | 97.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.01% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.79% | 94.73% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.04% | 96.90% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.09% | 94.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.88% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.41% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.01% | 85.14% |
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 | 75049123 |
| LOTUS | LTS0086104 |
| wikiData | Q104994488 |