Showing Compound Card for cis-Mevinphos (CDB006233)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraProtein targetPathwaysConcentrationsLinksReferencesXML
Record Information
Version1.0
Created at2020-07-28 20:21:44 UTC
Updated at2020-11-18 16:40:15 UTC
CannabisDB IDCDB006233
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Namecis-Mevinphos
DescriptionMevinphos, also known as phosdrin, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Based on a literature review very few articles have been published on Mevinphos.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphateChEBI
2-Methoxycarbonyl-1-methylvinyl dimethyl phosphateChEBI
Methyl 3-((dimethoxyphosphinyl)oxy)-2-butenoateChEBI
Methyl 3-hydroxycrotonate dimethyl phosphate esterChEBI
O,O-Dimethyl O-(1-methyl-2-carboxyvinyl) phosphateChEBI
PhosdrinChEBI
1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphoric acidGenerator
2-Methoxycarbonyl-1-methylvinyl dimethyl phosphoric acidGenerator
Methyl 3-((dimethoxyphosphinyl)oxy)-2-butenoic acidGenerator
Methyl 3-hydroxycrotonic acid dimethyl phosphoric acid esterGenerator
O,O-Dimethyl O-(1-methyl-2-carboxyvinyl) phosphoric acidGenerator
FosdrineMeSH
FosdrinMeSH
Chemical FormulaC7H13O6P
Average Molecular Weight224.1483
Monoisotopic Molecular Weight224.04497466
IUPAC Namemethyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate
Traditional Namemenite
CAS Registry NumberNot Available
SMILES
COC(=O)C=C(C)OP(=O)(OC)OC
InChI Identifier
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
InChI KeyGEPDYQSQVLXLEU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentFatty acid esters
Alternative Parents
Substituents
  • Fatty acid ester
  • Dialkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Methyl ester
  • Enoate ester
  • Alpha,beta-unsaturated carboxylic ester
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Carbonyl group
  • Organooxygen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.71ALOGPS
logP0.5ChemAxon
logS-1.3ALOGPS
pKa (Strongest Basic)-6.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area71.06 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity49.69 m³·mol⁻¹ChemAxon
Polarizability19.77 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MScis-Mevinphos, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MScis-Mevinphos, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MScis-Mevinphos, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - NA , positivesplash10-004i-0900000000-f86d2b42bbde67a25fda2020-08-04View Spectrum
MS/MSLC-MS/MS Spectrum - NA , positivesplash10-004i-1900000000-1616e2d588bd59dea40b2020-08-04View Spectrum
MS/MSLC-MS/MS Spectrum - NA , positivesplash10-004i-1900000000-8a0afb3d36c5c54406fa2020-08-04View Spectrum
MS/MSLC-MS/MS Spectrum - NA , positivesplash10-004i-0900000000-d018cc22da46994a25f42020-08-04View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0f92-3910000000-6880493be6e3b22533542019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-002b-9810000000-572a7ab757c5d047e09d2019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-002r-9300000000-462c8d321a5224757a412019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00dl-0960000000-348c3af695d7965158642019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01xx-1910000000-da357ff17cf0a52b6d6e2019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0036-9200000000-cfeb9a7b1630c926b7792019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-67da34c991bf70f9254b2021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-3900000000-1249920e1eba82f85a512021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-4900000000-b786b604dbc5626d28562021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9300000000-dd80a697affdc226842f2021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-002f-5900000000-e8453d7f2d4b4288a0b52021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-5335e43507948c43a40d2021-10-12View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0254693
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID9185
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMevinphos
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID38725
References
General References
  1. Moulins JR, Blais M, Montsion K, Tully J, Mohan W, Gagnon M, McRitchie T, Kwong K, Snider N, Blais DR: Multiresidue Method of Analysis of Pesticides in Medical Cannabis. J AOAC Int. 2018 Nov 1;101(6):1948-1960. doi: 10.5740/jaoacint.17-0495. Epub 2018 May 29. [PubMed:29843862 ]