9-Oxo-15S-hydroxy-prosta-5Z,8(12),13E-trien-1-oic acid
| Internal ID | fe9bc487-fc0c-4d54-9c48-6c6c29c9d89c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid |
| SMILES (Canonical) | CCCCCC(C=CC1=C(C(=O)CC1)CC=CCCCC(=O)O)O |
| SMILES (Isomeric) | CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CC=CCCCC(=O)O)O |
| InChI | InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4?,14-12+/t17-/m0/s1 |
| InChI Key | PRFXRIUZNKLRHM-FJGXOTQTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.30 |
| (Z)-7-(2-((S,E)-3-hydroxyoct-1-enyl)-5-oxocyclopent-1-enyl)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 |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.65% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.41% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.94% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.88% | 89.63% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 91.72% | 97.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.66% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.38% | 85.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.19% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 89.92% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.83% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.44% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.07% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.77% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.75% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.40% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.38% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.52% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.22% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 134689047 |
| LOTUS | LTS0198540 |
| wikiData | Q105213662 |