[(1R,2E,4S,10Z,13R,14S,16R)-14-hydroxy-6-oxo-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-2,10-dien-16-yl] acetate
| Internal ID | cba60abc-6cd7-479c-9c8c-bb5cb6e9ab26 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | [(1R,2E,4S,10Z,13R,14S,16R)-14-hydroxy-6-oxo-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-2,10-dien-16-yl] acetate |
| SMILES (Canonical) | CCC=CCC1C=CC2C(CC=CCCCC(=O)O1)C(CC2OC(=O)C)O |
| SMILES (Isomeric) | CC/C=C\C[C@H]1/C=C/[C@@H]2[C@@H](C/C=C\CCCC(=O)O1)[C@H](C[C@H]2OC(=O)C)O |
| InChI | InChI=1S/C22H32O5/c1-3-4-7-10-17-13-14-19-18(20(24)15-21(19)26-16(2)23)11-8-5-6-9-12-22(25)27-17/h4-5,7-8,13-14,17-21,24H,3,6,9-12,15H2,1-2H3/b7-4-,8-5-,14-13+/t17-,18+,19+,20-,21+/m0/s1 |
| InChI Key | LTMBGQJVTKVARP-QVZZOSNCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O5 |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [(1R,2E,4S,10Z,13R,14S,16R)-14-hydroxy-6-oxo-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-2,10-dien-16-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/dcf758c0-85c2-11ee-920b-47a95c204793.jpg "2D Structure of [(1R,2E,4S,10Z,13R,14S,16R)-14-hydroxy-6-oxo-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-2,10-dien-16-yl] acetate")
| 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 | 97.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.08% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.53% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.89% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.46% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.23% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.76% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.69% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.30% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.19% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.94% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.34% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.51% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.03% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.85% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.51% | 94.73% |
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 | 14806452 |
| LOTUS | LTS0072663 |
| wikiData | Q105157016 |