Prostaglandin G2

Identification

Name
Prostaglandin G2
Accession Number
DB03866  (EXPT02577)
Type
Small Molecule
Groups
Experimental
Description

A cyclic endoperoxide intermediate produced by the action of CYCLOOXYGENASE on ARACHIDONIC ACID. It is further converted by a series of specific enzymes to the series 2 prostaglandins. [PubChem]

Structure
Thumb
Synonyms
Not Available
Categories
UNII
Not Available
CAS number
Not Available
Weight
Average: 368.4645
Monoisotopic: 368.219888756
Chemical Formula
C20H32O6
InChI Key
SGUKUZOVHSFKPH-YNNPMVKQSA-N
InChI
InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
IUPAC Name
(5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
SMILES
[H][[email protected]@](CCCCC)(OO)\C=C\[[email protected]@]1([H])[[email protected]@]2([H])C[[email protected]]([H])(OO2)[[email protected]]1([H])C\C=C/CCCC(O)=O

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UProstaglandin G/H synthase 2Not AvailableHuman
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
PathwayCategory
Lornoxicam Action PathwayDrug action
Phenylbutazone Action PathwayDrug action
Salsalate Action PathwayDrug action
Acetaminophen Action PathwayDrug action
Arachidonic Acid MetabolismMetabolic
Meloxicam Action PathwayDrug action
Mefenamic Acid Action PathwayDrug action
Magnesium salicylate Action PathwayDrug action
Nepafenac Action PathwayDrug action
Salicylate-sodium Action PathwayDrug action
Ketorolac Action PathwayDrug action
Suprofen Action PathwayDrug action
Valdecoxib Action PathwayDrug action
Diflunisal Action PathwayDrug action
Leukotriene C4 Synthesis DeficiencyDisease
Trisalicylate-choline Action PathwayDrug action
Etodolac Action PathwayDrug action
Ibuprofen Action PathwayDrug action
Diclofenac Action PathwayDrug action
Bromfenac Action PathwayDrug action
Antipyrine Action PathwayDrug action
Antrafenine Action PathwayDrug action
Fenoprofen Action PathwayDrug action
Flurbiprofen Action PathwayDrug action
Lumiracoxib Action PathwayDrug action
Tenoxicam Action PathwayDrug action
Salicylic Acid Action PathwayDrug action
Piroxicam Action PathwayDrug action
Acetylsalicylic Acid Action PathwayDrug action
Ketoprofen Action PathwayDrug action
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AceclofenacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Aceclofenac.Approved, Investigational
AcemetacinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Acemetacin.Approved, Experimental, Investigational
Acetylsalicylic acidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Acetylsalicylic acid.Approved, Vet Approved
AdapaleneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Adapalene.Approved
AlclofenacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Alclofenac.Approved, Withdrawn
AlminoprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Alminoprofen.Experimental
AndrographolideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Andrographolide.Investigational
AnisodamineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Anisodamine.Investigational
AntipyrineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Antipyrine.Approved
ApocyninThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Apocynin.Investigational
ApremilastThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Apremilast.Approved, Investigational
AzapropazoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Azapropazone.Withdrawn
AzelastineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Azelastine.Approved
BalsalazideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Balsalazide.Approved, Investigational
BendazacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Bendazac.Experimental
BenorilateThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Benorilate.Experimental
BenoxaprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Benoxaprofen.Withdrawn
BenzydamineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Benzydamine.Approved
BevoniumThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Bevonium.Experimental
BromfenacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Bromfenac.Approved
BucillamineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Bucillamine.Investigational
BufexamacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Bufexamac.Experimental
BumadizoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Bumadizone.Experimental
Carbaspirin calciumThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Carbaspirin calcium.Experimental, Investigational
CarprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Carprofen.Approved, Vet Approved, Withdrawn
CastanospermineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Castanospermine.Experimental
CelecoxibThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Celecoxib.Approved, Investigational
ChloroquineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Chloroquine.Approved, Vet Approved
Choline magnesium trisalicylateThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Choline magnesium trisalicylate.Approved
ClonixinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Clonixin.Approved
CurcuminThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Curcumin.Investigational
DiclofenacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Diclofenac.Approved, Vet Approved
DifenpiramideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Difenpiramide.Experimental
DiflunisalThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Diflunisal.Approved
DroxicamThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Droxicam.Withdrawn
DuvelisibThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Duvelisib.Investigational
E-6201The therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with E-6201.Investigational
EpirizoleThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Epirizole.Approved
EtanerceptThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Etanercept.Approved, Investigational
EthenzamideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Ethenzamide.Experimental
EtodolacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Etodolac.Approved, Investigational, Vet Approved
EtofenamateThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Etofenamate.Approved, Investigational
EtoricoxibThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Etoricoxib.Approved, Investigational
Evening primrose oilThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Evening primrose oil.Approved, Investigational
ExisulindThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Exisulind.Investigational
FelbinacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Felbinac.Experimental
FenbufenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Fenbufen.Approved
FenoprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Fenoprofen.Approved
FentiazacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Fentiazac.Experimental
FeprazoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Feprazone.Experimental
Ferulic acidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Ferulic acid.Experimental
FloctafenineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Floctafenine.Approved, Withdrawn
FlunixinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Flunixin.Vet Approved
FlunoxaprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Flunoxaprofen.Experimental
FlurbiprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Flurbiprofen.Approved, Investigational
GuacetisalThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Guacetisal.Experimental
HigenamineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Higenamine.Investigational
IbuprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Ibuprofen.Approved
IbuproxamThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Ibuproxam.Withdrawn
IcatibantThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Icatibant.Approved
Imidazole salicylateThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Imidazole salicylate.Experimental
IndobufenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Indobufen.Investigational
IndomethacinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Indomethacin.Approved, Investigational
IndoprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Indoprofen.Withdrawn
IsoxicamThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Isoxicam.Withdrawn
KebuzoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Kebuzone.Experimental
KetoprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Ketoprofen.Approved, Vet Approved
KetorolacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Ketorolac.Approved
LeflunomideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Leflunomide.Approved, Investigational
LisofyllineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Lisofylline.Investigational
LonazolacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Lonazolac.Experimental
LornoxicamThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Lornoxicam.Approved, Investigational
LoxoprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Loxoprofen.Approved, Investigational
LumiracoxibThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Lumiracoxib.Approved, Investigational
Magnesium salicylateThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Magnesium salicylate.Approved
MasoprocolThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Masoprocol.Approved, Investigational
Meclofenamic acidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Meclofenamic acid.Approved, Vet Approved
Mefenamic acidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Mefenamic acid.Approved
MeloxicamThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Meloxicam.Approved, Vet Approved
MesalazineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Mesalazine.Approved
MetamizoleThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Metamizole.Investigational, Withdrawn
MizoribineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Mizoribine.Investigational
MofebutazoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Mofebutazone.Experimental
Mycophenolate mofetilThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Mycophenolate mofetil.Approved, Investigational
Mycophenolic acidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Mycophenolic acid.Approved
NabumetoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Nabumetone.Approved
NafamostatThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Nafamostat.Approved, Investigational
NaftifineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Naftifine.Approved
NaproxenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Naproxen.Approved, Vet Approved
NepafenacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Nepafenac.Approved
NifenazoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Nifenazone.Experimental
Niflumic AcidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Niflumic Acid.Approved
NimesulideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Nimesulide.Approved, Investigational, Withdrawn
NitroaspirinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Nitroaspirin.Investigational
OlopatadineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Olopatadine.Approved
OlsalazineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Olsalazine.Approved
OrgoteinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Orgotein.Vet Approved
OxaprozinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Oxaprozin.Approved
OxyphenbutazoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Oxyphenbutazone.Approved, Withdrawn
ParecoxibThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Parecoxib.Approved
ParthenolideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Parthenolide.Investigational
PhenylbutazoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Phenylbutazone.Approved, Vet Approved
PimecrolimusThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Pimecrolimus.Approved, Investigational
PirfenidoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Pirfenidone.Approved, Investigational
PiroxicamThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Piroxicam.Approved, Investigational
PirprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Pirprofen.Experimental
PranoprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Pranoprofen.Experimental, Investigational
ProglumetacinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Proglumetacin.Experimental
PropacetamolThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Propacetamol.Approved, Investigational
PropyphenazoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Propyphenazone.Experimental
ProquazoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Proquazone.Experimental
PTC299The therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with PTC299.Investigational
ResveratrolThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Resveratrol.Approved, Experimental, Investigational
RofecoxibThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Rofecoxib.Investigational, Withdrawn
SalicylamideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Salicylamide.Approved
Salicylic acidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Salicylic acid.Approved, Vet Approved
SalsalateThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Salsalate.Approved
SemapimodThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Semapimod.Investigational
SeratrodastThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Seratrodast.Approved
SerrapeptaseThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Serrapeptase.Investigational
SRT501The therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with SRT501.Investigational
SulfasalazineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Sulfasalazine.Approved
SulindacThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Sulindac.Approved
SuprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Suprofen.Approved, Withdrawn
SuxibuzoneThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Suxibuzone.Experimental
TarenflurbilThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tarenflurbil.Investigational
TenidapThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tenidap.Experimental
TenoxicamThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tenoxicam.Approved
TepoxalinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tepoxalin.Vet Approved
TeriflunomideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Teriflunomide.Approved
Tiaprofenic acidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tiaprofenic acid.Approved
TinoridineThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tinoridine.Investigational
Tolfenamic AcidThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tolfenamic Acid.Approved
TolmetinThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tolmetin.Approved
TranilastThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tranilast.Approved, Investigational
TribenosideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Tribenoside.Experimental
TriptolideThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Triptolide.Investigational
ValdecoxibThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Valdecoxib.Investigational, Withdrawn
ZaltoprofenThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Zaltoprofen.Approved, Investigational
ZileutonThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Zileuton.Approved, Investigational, Withdrawn
ZomepiracThe therapeutic efficacy of Prostaglandin G2 can be decreased when used in combination with Zomepirac.Withdrawn
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB03235
KEGG Compound
C05956
PubChem Compound
5280883
PubChem Substance
46509030
ChemSpider
4444406
ChEBI
27647
HET
PGX
PDB Entries
1ddx

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0264 mg/mLALOGPS
logP4.31ALOGPS
logP4.41ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)4.36ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area85.22 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity99.39 m3·mol-1ChemAxon
Polarizability40.85 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.859
Blood Brain Barrier+0.8659
Caco-2 permeable-0.5826
P-glycoprotein substrateSubstrate0.607
P-glycoprotein inhibitor INon-inhibitor0.7556
P-glycoprotein inhibitor IINon-inhibitor0.9371
Renal organic cation transporterNon-inhibitor0.8993
CYP450 2C9 substrateNon-substrate0.818
CYP450 2D6 substrateNon-substrate0.8386
CYP450 3A4 substrateNon-substrate0.5401
CYP450 1A2 substrateNon-inhibitor0.7686
CYP450 2C9 inhibitorNon-inhibitor0.8485
CYP450 2D6 inhibitorNon-inhibitor0.9119
CYP450 2C19 inhibitorNon-inhibitor0.7986
CYP450 3A4 inhibitorNon-inhibitor0.8137
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8634
Ames testNon AMES toxic0.6094
CarcinogenicityNon-carcinogens0.9048
BiodegradationNot ready biodegradable0.6704
Rat acute toxicity2.9740 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.7324
hERG inhibition (predictor II)Non-inhibitor0.8095
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0119000000-06893304af83e030a39b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zmr-3369000000-b1d0f67eea930b11ae4c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-1003-9400000000-7fbd48d8b1a086fc44d2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0019000000-4a1c6a9bb1b35fe201ef
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00r2-2149000000-16bc14c91731cdc79586
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9162000000-ad0929ccdcab78d69a99

Taxonomy

Description
This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Eicosanoids
Direct Parent
Prostaglandins and related compounds
Alternative Parents
Long-chain fatty acids / Hydroperoxy fatty acids / Heterocyclic fatty acids / Unsaturated fatty acids / 1,2-dioxanes / Allylic hydroperoxides / 1,2-dioxolanes / Dialkyl peroxides / Peroxols / Oxacyclic compounds
show 5 more
Substituents
Prostaglandin skeleton / Long-chain fatty acid / Hydroperoxy fatty acid / Heterocyclic fatty acid / Ortho-dioxane / Fatty acid / Unsaturated fatty acid / Allylic hydroperoxide / Ortho-dioxolane / Dialkyl peroxide
show 14 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
prostaglandins G (CHEBI:27647) / Prostaglandins (C05956) / Prostaglandins (LMFA03010009)

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Prostaglandin-endoperoxide synthase activity
Specific Function
Converts arachidonate to prostaglandin H2 (PGH2), a committed step in prostanoid synthesis. Constitutively expressed in some tissues in physiological conditions, such as the endothelium, kidney and...
Gene Name
PTGS2
Uniprot ID
P35354
Uniprot Name
Prostaglandin G/H synthase 2
Molecular Weight
68995.625 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]

Drug created on June 13, 2005 07:24 / Updated on November 09, 2017 03:33