7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
| Internal ID | 2089b2c7-55fe-4c0b-9b06-2600b56e0fee |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | 7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+/t15-,16+,17+,18+,19+/m0/s1 |
| InChI Key | PXGPLTODNUVGFL-IPZRGGTJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H34O5 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/z-7-1r2r3r5r-35-dihydroxy-2-se-3-hydroxyoct-1-enylcyclopentylhept-5-enoic-acid.jpg "2D Structure of 7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor |
380 nM |
IC50 |
via Super-PRED
|
| CHEMBL3710 | P43115 | Prostanoid EP3 receptor |
322 nM |
IC50 |
via Super-PRED
|
| CHEMBL1987 | P43088 | Prostanoid FP receptor |
2.5 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.13% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.83% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.85% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.05% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.13% | 89.63% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 89.92% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.56% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.38% | 92.08% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.18% | 97.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.05% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.97% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.92% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.64% | 83.82% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.37% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.74% | 100.00% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 84.62% | 93.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.33% | 85.14% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.71% | 95.58% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.55% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.41% | 92.50% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.95% | 92.32% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.88% | 89.50% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 81.82% | 98.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.80% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.78% | 98.03% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.35% | 82.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.23% | 97.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.40% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.00% | 97.29% |
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 | 134688226 |
| LOTUS | LTS0204825 |
| wikiData | Q105216170 |