2,3-dinor-8-epi-prostaglandin F2alpha
Internal ID | b16fe5ae-9f4e-40a3-b86e-3c55d4e09241 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
IUPAC Name | (Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid |
SMILES (Canonical) | CCCCCC(C=CC1C(CC(C1CC=CCC(=O)O)O)O)O |
SMILES (Isomeric) | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CC(=O)O)O)O)O |
InChI | InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14-,15+,16-,17+/m0/s1 |
InChI Key | IDKLJIUIJUVJNR-JSEKUSAISA-N |
Popularity | 6 references in papers |
Molecular Formula | C18H30O5 |
Molecular Weight | 326.40 g/mol |
Exact Mass | 326.20932405 g/mol |
Topological Polar Surface Area (TPSA) | 98.00 Ų |
XlogP | 2.10 |
2,3-dinor-8-epi-prostaglandin F2alpha |
2,3-DI-NOR-8-ISOPROSTAGLANDIN F2A |
2,3-Dinor-8-iso PGF2alpha |
2,3-Dinor-8-iso-PGF2alpha |
2,3-Dinor-8-iso prostaglandin F2alpha |
(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid |
9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R] |
2,3-Dinor-8-isoPGF2alpha |
SCHEMBL2340561 |
2,3-Dinor iPF2.alpha.-III |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 96.62% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.87% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.29% | 97.25% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.76% | 99.17% |
CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.59% | 89.63% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.35% | 93.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.16% | 91.11% |
CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.38% | 96.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.61% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.44% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.48% | 91.19% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.40% | 96.47% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.19% | 100.00% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.11% | 97.29% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.00% | 90.71% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.02% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.30% | 90.17% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.21% | 82.50% |
CHEMBL299 | P17252 | Protein kinase C alpha | 83.15% | 98.03% |
CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.69% | 92.32% |
CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.54% | 100.00% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.36% | 85.94% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.14% | 92.08% |
CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 81.00% | 93.00% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.99% | 95.58% |
CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.87% | 95.71% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.80% | 97.50% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.10% | 89.50% |
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.
Arabidopsis thaliana |
PubChem | 9548881 |
LOTUS | LTS0230071 |
wikiData | Q27115927 |