Prostaglandin F2alpha methyl ester

Details

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Internal ID 8d08b418-15bf-4165-b0f2-fba82bf6eb8a
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds
IUPAC Name methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H36O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-20,22-24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19-,20+/m0/s1
InChI Key PJDMFGSFLLCCAO-NVRZHKMMSA-N
Popularity 22 references in papers

Physical and Chemical Properties

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Molecular Formula C21H36O5
Molecular Weight 368.50 g/mol
Exact Mass 368.25627424 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 3.00

Synonyms

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PGF2 methyl ester
PROSTAGLANDIN F2ALPHA METHYL ESTER
Prostaglandin F2 methyl ester
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
DTXSID501037318
methyl (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((E,3S)-3-hydroxyoct-1-enyl)cyclopentyl)hept-5-enoate
15-Mt-PGF2alpha
RefChem:930082
DTXCID501521371
Dinoprost methyl ester
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Prostaglandin F2alpha methyl ester

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL3060 Q9Y345 Glycine transporter 2 97.61% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.77% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.69% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.65% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.95% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.65% 97.25%
CHEMBL299 P17252 Protein kinase C alpha 92.63% 98.03%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 92.60% 95.58%
CHEMBL4227 P25090 Lipoxin A4 receptor 90.27% 100.00%
CHEMBL256 P0DMS8 Adenosine A3 receptor 89.52% 95.93%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.11% 93.56%
CHEMBL340 P08684 Cytochrome P450 3A4 89.07% 91.19%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 88.19% 97.29%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 87.79% 100.00%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 87.77% 95.71%
CHEMBL4040 P28482 MAP kinase ERK2 87.17% 83.82%
CHEMBL5255 O00206 Toll-like receptor 4 86.53% 92.50%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.20% 97.09%
CHEMBL3430907 Q96GD4 Aurora kinase B/Inner centromere protein 85.88% 97.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 85.71% 94.33%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 85.36% 92.08%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.10% 94.45%
CHEMBL230 P35354 Cyclooxygenase-2 84.97% 89.63%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.74% 96.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 84.51% 96.47%
CHEMBL240 Q12809 HERG 84.39% 89.76%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 84.02% 96.00%
CHEMBL1293316 Q9HBX9 Relaxin receptor 1 83.66% 82.50%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 83.05% 95.50%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 83.03% 98.75%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.70% 90.71%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 82.31% 92.88%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.03% 96.95%
CHEMBL2413 P32246 C-C chemokine receptor type 1 81.99% 89.50%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 81.92% 91.81%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 81.79% 91.24%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 81.22% 92.86%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 5283102
LOTUS LTS0141184
wikiData Q76293767