(2,3-Epoxyphytyl)menaquinone (CED0183575)

Record Information
Version1.0
Creation Date2026-04-05 00:05:56 UTC
Update Date2026-04-05 00:05:56 UTC
Accession NumberCHEM085986
Identification
Common Name(2,3-Epoxyphytyl)menaquinone
ClassSmall Molecule
Description
(2,3-Epoxyphytyl)menaquinone belongs to the quinone and hydroquinone lipids, a subclass of prenol lipids within the organic compounds. This lipid-like molecule has the formula C31H46O3 and an average molecular weight of 466.71 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC31H46O3
Average Molecular Mass466.706 g/mol
Monoisotopic Mass466.345 g/mol
CAS Registry Number25486-55-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)=CCC12OC1(C)C(=O)C1=C(C=CC=C1)C2=O
InChI IdentifierInChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3
InChI KeyKUTXFBIHPWIDJQ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0w30-4954300000-8d5869c90a073d1fc4dbNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0130900000-3b1bc358b43e27854bb6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ktk-5690300000-ece538d0d9bd3857484aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9880100000-4aeb98e31bc2eec7a7cfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0000900000-d7ac14f3da074ab1a0a5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0010900000-f6d434f05e8f2c7c56dbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-6891300000-6a0524a63604098eb1bfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0011900000-5903a04b878c5d82fdbdNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bu1-9630200000-9504569510e38183ff13Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9611000000-282beae1fca6c1b31a2bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0000900000-34d4a26fdf7a1cd26730Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014r-0300900000-b1c60108747d75cb7095Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004r-0209100000-3de9eac366ee0b0673caNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1980.0Log mg/kg[1100:3500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
Pathways
27 pathways
Vitamin K Metabolism
Vitamin K Metabolism
Enoxaparin.
Enoxaparin.
Fondaparinux.
Fondaparinux.
Heparin.
Heparin.
Ardeparin Action Pathway
Ardeparin Action Pathway
Argatroban.
Argatroban.
Bivalirudin.
Bivalirudin.
Lepirudin Action Pathway
Lepirudin Action Pathway
Ximelagatran Action Pathway
Ximelagatran Action Pathway
Alteplase Action Pathway
Alteplase Action Pathway
Anistreplase Action Pathway
Anistreplase Action Pathway
Streptokinase Action Pathway
Streptokinase Action Pathway
View all 27 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureHTH-type quorum-sensing regulator RhlRP54292Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)2.72472
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)286.174
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)714.033
Tyrosyl-DNA phosphodiesterase 2 structureClick to view 3D structureTyrosyl-DNA phosphodiesterase 2O95551HumansPredicted (SEA)86.8797
Receptor-type tyrosine-protein phosphatase C structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase CP08575HumansPredicted (SEA)206.845
Click to view 3D structurePotassium channel subfamily K member 2Q920B6Rattus norvegicusPredicted (SEA)17.1268
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)914.651
Sentrin-specific protease 8 structureClick to view 3D structureSentrin-specific protease 8Q96LD8HumansPredicted (SEA)713.021
Click to view 3D structure3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomeraseP9WQP7Mycobacterium tuberculosisPredicted (SEA)22.1092
Click to view 3D structureCytochrome P450 2B4P00178Oryctolagus cuniculusPredicted (SEA)11.1324
Click to view 3D structureSentrin-specific protease 6Q9GZR1HumansPredicted (SEA)839.215
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)1401.68
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)2530.72
Click to view 3D structure4-aminobutyrate aminotransferase, mitochondrialP50554Rattus norvegicusPredicted (SEA)60.0996
Tyrosine-protein phosphatase non-receptor type 2 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 2P17706HumansPredicted (SEA)829.483
Click to view 3D structureLanosterol synthaseQ04782YeastPredicted (SEA)2.56902
DNA-directed RNA polymerase subunit beta structureClick to view 3D structureDNA-directed RNA polymerase subunit betaP0A8V2Escherichia coli (strain K12)Predicted (SEA)8.01847
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)1879.59
Click to view 3D structureLanosterol synthaseQ96WJ0Pneumocystis cariniiPredicted (SEA)6.69503
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)6213.07
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)2786.77
Click to view 3D structurePH domain leucine-rich repeat-containing protein phosphatase 1O60346HumansPredicted (SEA)3.42537
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)6880.7
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)4707.93
M-phase inducer phosphatase 1 structureClick to view 3D structureM-phase inducer phosphatase 1P30304HumansPredicted (SEA)150.249
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available