Methyl 7-(2-acetyloxy-4-iodo-2-oct-2-enyl-5-oxocyclopent-3-en-1-ylidene)hept-5-enoate
| Internal ID | 4699597c-7d6c-4880-9584-0f72f6890bbd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Clavulones and derivatives |
| IUPAC Name | methyl 7-(2-acetyloxy-4-iodo-2-oct-2-enyl-5-oxocyclopent-3-en-1-ylidene)hept-5-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H31IO5/c1-4-5-6-7-10-13-16-23(29-18(2)25)17-20(24)22(27)19(23)14-11-8-9-12-15-21(26)28-3/h8,10-11,13-14,17H,4-7,9,12,15-16H2,1-3H3 |
| InChI Key | ZEOKCUBTUKMKQP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31IO5 |
| Molecular Weight | 514.40 g/mol |
| Exact Mass | 514.12162 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
| 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 | 97.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.67% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.15% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.15% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.11% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.68% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.08% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.33% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.31% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.41% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.76% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.63% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.93% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.91% | 99.23% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.90% | 91.81% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.94% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.91% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.34% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.94% | 80.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.67% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.54% | 92.88% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.32% | 92.08% |
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 | 72972453 |
| LOTUS | LTS0077043 |
| wikiData | Q105373458 |