Mevinphos

Basic Info

FADB-China IDC0293
Substance NameOrganophosphorus pesticide
Substance Chinese Name有机磷农药
Molecular NameMevinphos
Molecular Chinese Name速灭磷
2D StructureNo image
CAS Number7786-34-7
PubChem CID5355863
FormulaC7H13O6P
IUPAC NameMethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate
InChI KeyGEPDYQSQVLXLEU-AATRIKPKSA-N
InChIInChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+
Canonical SMILES

CC(=CC(=O)OC)OP(=O)(OC)OC

Isomeric SMILES

C/C(=C\C(=O)OC)/OP(=O)(OC)OC

CFM-ID 3.0URL Link
Related linksTransportation, Processing
Addition PurposesDesinsectization
Molecular Synonyms
        
            Mevinphos
        
            Phosdrin
        
            Fosdrin
        
            Cis-Phosdrin
        
            Meniphos
        
            Phosfene
        
            Gesfid
        
            Menite
        
            (E)-Mevinphos
        
            7786-34-7
Data UploaderShuyu Ouyang
Update DateAug 12, 2019 10:29

Properties

Property NameProperty Value
Molecular Weight224.15
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Complexity263
Monoisotopic Mass224.04497514
Exact Mass224.04497514
XLogP1.2
Formal Charge0
Heavy Atom Count14
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9558
Human Intestinal AbsorptionHIA+0.8834
Caco-2 PermeabilityCaco2-0.5766
P-glycoprotein SubstrateNon-substrate0.7968
P-glycoprotein InhibitorNon-inhibitor0.7945
Non-inhibitor0.8581
Renal Organic Cation TransporterNon-inhibitor0.9508
Distribution
Subcellular localizationMitochondria0.8101
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8554
CYP450 2D6 SubstrateNon-substrate0.8704
CYP450 3A4 SubstrateNon-substrate0.5594
CYP450 1A2 InhibitorNon-inhibitor0.8617
CYP450 2C9 InhibitorNon-inhibitor0.8667
CYP450 2D6 InhibitorNon-inhibitor0.9370
CYP450 2C19 InhibitorNon-inhibitor0.7977
CYP450 3A4 InhibitorNon-inhibitor0.8838
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9082
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.8949
Non-inhibitor0.9726
AMES ToxicityNon AMES toxic0.7421
CarcinogensCarcinogens 0.6643
Fish ToxicityHigh FHMT0.7226
Tetrahymena Pyriformis ToxicityHigh TPT0.7789
Honey Bee ToxicityHigh HBT0.9342
BiodegradationReady biodegradable0.6487
Acute Oral ToxicityI0.7747
Carcinogenicity (Three-class)Non-required0.4946

ADMET -- Regression

Model Value Unit
Aqueous solubility-1.0438LogS
Caco-2 Permeability0.2919LogPapp, cm/s
Rat Acute Toxicity4.4521LD50, mol/kg
Fish Toxicity1.0454pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.0133pIGC50, ug/L

Related Foods

FADB-China ID F0025
Food Image No Pictures
Food Name Ham
Food Chinese Name 火腿
Food Type Processed food
References List of non-edible substances that may be illegally added in food (third batch)
FADB-China ID F0027
Food Image No Pictures
Food Name Dried fish
Food Chinese Name 鱼干
Food Type Processed food
References List of non-edible substances that may be illegally added in food (third batch)
FADB-China ID F0028
Food Image No Pictures
Food Name Salted fish
Food Chinese Name 咸鱼
Food Type Processed food
References List of non-edible substances that may be illegally added in food (third batch)

References

TitleDOI/PubMed/ISSN
List of non-edible substances that may be illegally added in food (third batch)