[(2z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate (CED0130002)

Record Information
Version1.0
Creation Date2026-08-18 03:04:37 UTC
Update Date2026-08-18 03:04:37 UTC
Accession NumberCHEM149617
Identification
Common Name[(2z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
ClassSmall Molecule
Description
[(2z)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate belongs to the isoprenoid phosphates, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C10H20O7P2 and an average molecular weight of 314.21 g/mol. It has been found in or released from three recorded sources, which include antennas from electrical and electronic equipment, as well as food, food processing and cookware, specifically in the preparation of wort and the preparation of wine or sparkling wine.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H20O7P2
Average Molecular Mass314.210 g/mol
Monoisotopic Mass314.068 g/mol
CAS Registry Number16751-02-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-
InChI KeyGVVPGTZRZFNKDS-YFHOEESVSA-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
SpectraNot Available
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
1409.0Log mg/kg[790:2500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSqualene synthase ERG9P29704Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)Predicted (SEA)0.0778492
Click to view 3D structureProtein farnesyltransferase/geranylgeranyltransferase type-1 subunit alphaP29703Saccharomyces cerevisiae S288cPredicted (SEA)0.0778492
Click to view 3D structureProtein-S-isoprenylcysteine O-methyltransferaseP32584Saccharomyces cerevisiae S288cPredicted (SEA)0.544945
Click to view 3D structureSqualene epoxidaseA7L861Sus scrofaPredicted (SEA)0.700643
Click to view 3D structureProtein-S-isoprenylcysteine O-methyltransferaseQ9WVM4Rattus norvegicusPredicted (SEA)0.622794
Click to view 3D structure4-hydroxy-3-methylbut-2-enyl diphosphate reductaseO67625Aquifex aeolicus (strain VF5)Predicted (SEA)0.0778492
Click to view 3D structureCytochrome P450 2B4P00178Oryctolagus cuniculusPredicted (SEA)1.08989
Click to view 3D structureInhibin alpha chainP05111HumansPredicted (SEA)3.26967
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)25.6902
Click to view 3D structureTransient receptor potential cation channel subfamily M member 8Q8R455Rattus norvegicusPredicted (SEA)9.18621
Diphosphomevalonate decarboxylase structureClick to view 3D structureDiphosphomevalonate decarboxylaseP53602HumansPredicted (SEA)3.03612
Click to view 3D structureLanosterol synthaseQ04782YeastPredicted (SEA)0.778492
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)456.975
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)10.9767
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)109.067
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)3.03612
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)42.8171
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)55.8957
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)72.8669
Reverse transcriptase/RNaseH structureClick to view 3D structureReverse transcriptase/RNaseHQ72547Human immunodeficiency virus 1Predicted (SEA)223.894
Lanosterol synthase structureClick to view 3D structureLanosterol synthaseP48449HumansPredicted (SEA)14.7135
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)16.7376
Click to view 3D structureFructose-bisphosphate aldolase AP00883Oryctolagus cuniculusPredicted (SEA)0.934191
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)294.815
Click to view 3D structureHeat shock cognate 71 kDa proteinP19120Bos taurusPredicted (SEA)53.2489
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available