(1R,2S,3S,4R,6R,8S,11S,13S,15R)-6-methyl-2-(2-oxopropyl)-16-oxapentacyclo[13.2.2.01,13.03,11.04,8]nonadec-9-ene-7,17,18-trione
| Internal ID | 11c9d537-d6ea-46dd-a5dd-a7efefd64778 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | (1R,2S,3S,4R,6R,8S,11S,13S,15R)-6-methyl-2-(2-oxopropyl)-16-oxapentacyclo[13.2.2.01,13.03,11.04,8]nonadec-9-ene-7,17,18-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26O5/c1-10-5-16-15(20(10)25)4-3-12-7-13-8-14-9-18(24)22(13,21(26)27-14)17(19(12)16)6-11(2)23/h3-4,10,12-17,19H,5-9H2,1-2H3/t10-,12-,13+,14-,15+,16+,17+,19+,22-/m1/s1 |
| InChI Key | ZKSMHLMCOSXDEO-SZBVIKRBSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H26O5 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,4R,6R,8S,11S,13S,15R)-6-methyl-2-(2-oxopropyl)-16-oxapentacyclo[13.2.2.01,13.03,11.04,8]nonadec-9-ene-7,17,18-trione](https://plantaedb.com/storage/docs/compounds/2023/11/0936f320-8544-11ee-9063-7d91e618cea6.jpg "2D Structure of (1R,2S,3S,4R,6R,8S,11S,13S,15R)-6-methyl-2-(2-oxopropyl)-16-oxapentacyclo[13.2.2.01,13.03,11.04,8]nonadec-9-ene-7,17,18-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.67% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.93% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.91% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.74% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.32% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.41% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.10% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.39% | 89.34% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.13% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.28% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.23% | 99.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.84% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.74% | 93.03% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 80.54% | 95.72% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.25% | 100.00% |
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 | 11451534 |
| LOTUS | LTS0084215 |
| wikiData | Q105378702 |