Deoxypodophyllotoxin (CED0009772)

Record Information
Version1.0
Creation Date2026-04-06 01:59:45 UTC
Update Date2026-08-21 21:57:48 UTC
Accession NumberCHEM114544
Identification
Common NameDeoxypodophyllotoxin
ClassSmall Molecule
Description
Deoxypodophyllotoxin is an organic compound with the chemical formula $\text{C}_{22}\text{H}_{22}\text{O}_7$ and an average molecular weight of 398.41 g/mol. Deoxypodophyllotoxin belongs to the lignan lactones, a class of lignans, neolignans and related compounds within the organic compounds. This substance is found in or released from 13 recorded sources across several diverse sectors. Within the healthcare, pharmaceuticals and veterinary products sector, it is associated with medical devices. In the energy, oil and gas and industrial manufacturing and chemical processing sectors, it is found in lubricants. It is also present in food packaging within the food, food processing and cookware sector. Furthermore, it is identified in textiles, leather and furnishings, specifically in synthetic textiles and carpets and rugs. It is also released from electrical and electronic equipment, including cell phones, capacitors, wires and cables, batteries, and printed circuit boards. Recorded exposure routes for this compound include oral, inhalation, and touch.
Contaminant Type
  • Insecticide
  • PFAS
  • Phytotoxin
Chemical Structure
SynonymsNot Available
Chemical FormulaC22H22O7
Average Molecular Mass398.411 g/mol
Monoisotopic Mass398.137 g/mol
CAS Registry Number19186-35-7
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@]12COC(=O)[C@]1([H])[C@]([H])(C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1C2
InChI IdentifierInChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1
InChI KeyZGLXUQQMLLIKAN-SVIJTADQSA-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
609.0Log mg/kg[340:1100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
634BucklesTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
656Snap FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureRegulatory protein E2P03118Human papillomavirus type 1aPredicted (SEA)0.0778492
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)122.068
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)393.45
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)283.293
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)255.735
Tissue factor structureClick to view 3D structureTissue factorP13726HumansPredicted (SEA)24.6782
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)825.669
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)694.649
Click to view 3D structureTubulin beta chainQ6B856Bos taurusPredicted (SEA)2.17978
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)172.28
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)197.036
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)282.203
Click to view 3D structureTubulin alpha chainP02550Sus scrofaPredicted (SEA)0.934191
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)215.175
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)548.526
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)337.321
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)680.558
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)423.655
Click to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)68.5852
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)412.367
Click to view 3D structureEndothelin receptor type BP48302Mus musculusPredicted (SEA)3.34752
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)487.648
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)670.204
D(1B) dopamine receptor structureClick to view 3D structureD(1B) dopamine receptorP21918HumansPredicted (SEA)271.538
Click to view 3D structureProstaglandin G/H synthase 2Q05769Mus musculusPredicted (SEA)32.2296
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available