prostaglandin F1a

Details

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Internal ID 974cb113-00d5-4c87-8d72-8f2949300fd7
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds
IUPAC Name 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]heptanoic acid
SMILES (Canonical) CCCCCC(C=CC1C(CC(C1CCCCCCC(=O)O)O)O)O
SMILES (Isomeric) CCCCCC(C=CC1C(CC(C1CCCCCCC(=O)O)O)O)O
InChI InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)
InChI Key DZUXGQBLFALXCR-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H36O5
Molecular Weight 356.50 g/mol
Exact Mass 356.25627424 g/mol
Topological Polar Surface Area (TPSA) 98.00 Ų
XlogP 3.50

Synonyms

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SCHEMBL11816351
DTXSID90862396
CHEBI:169746
7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]heptanoic acid
FT-0603509
FT-0636650
FT-0638635
FT-0639409
9,11,15-trihydroxyprost-13-en-1-oic acid

2D Structure

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2D Structure of prostaglandin F1a

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
CHEMBL2581 P07339 Cathepsin D 97.73% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.97% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.37% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 93.68% 89.63%
CHEMBL3359 P21462 Formyl peptide receptor 1 93.32% 93.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.55% 91.11%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 90.02% 96.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 89.53% 100.00%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.45% 92.08%
CHEMBL340 P08684 Cytochrome P450 3A4 88.37% 91.19%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 87.78% 85.94%
CHEMBL299 P17252 Protein kinase C alpha 87.69% 98.03%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.28% 97.09%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 87.17% 100.00%
CHEMBL4040 P28482 MAP kinase ERK2 86.89% 83.82%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.65% 85.14%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 86.58% 97.29%
CHEMBL5255 O00206 Toll-like receptor 4 85.67% 92.50%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.57% 90.71%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 84.14% 95.50%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 84.05% 95.17%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 83.99% 92.32%
CHEMBL2514 O95665 Neurotensin receptor 2 83.64% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.01% 97.25%
CHEMBL221 P23219 Cyclooxygenase-1 82.98% 90.17%
CHEMBL1293316 Q9HBX9 Relaxin receptor 1 82.74% 82.50%
CHEMBL4330 Q9NS75 Cysteinyl leukotriene receptor 2 82.25% 98.00%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 82.25% 91.81%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 81.70% 98.33%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.12% 96.47%
CHEMBL3629 P68400 Casein kinase II alpha 80.70% 98.89%
CHEMBL2179 P04062 Beta-glucocerebrosidase 80.37% 85.31%

Plants that contains it

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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.
Larix sibirica

Cross-Links

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PubChem 4957
LOTUS LTS0083043
wikiData Q104992040