PGD2;11-Dehydroprostaglandin F2-alpha
| Internal ID | d4359608-d33c-470a-b6ef-3e8047815486 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | 7-[5-hydroxy-2-(3-hydroxyoct-1-enyl)-3-oxocyclopentyl]hept-5-enoic acid |
| SMILES (Canonical) | CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O |
| SMILES (Isomeric) | CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O |
| InChI | InChI=1S/C20H32O5/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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25) |
| InChI Key | BHMBVRSPMRCCGG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O5 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 2.60 |
| BCP30264 |
| PGD2;11-Dehydroprostaglandin F2-alpha |
| FT-0630621 |
| 9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL5071 | Q9Y5Y4 | G protein-coupled receptor 44 |
7 nM |
EC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.54% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.20% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.04% | 93.56% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.98% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.04% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.85% | 92.08% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.72% | 97.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.63% | 85.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.48% | 98.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.81% | 90.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.68% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.15% | 100.00% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 81.92% | 93.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.73% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.63% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.07% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.80% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.72% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.68% | 97.05% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.60% | 89.63% |
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.
| Larix sibirica |
| PubChem | 4956 |
| LOTUS | LTS0132567 |
| wikiData | Q105176888 |