Diosgenin (CED0003967)

Record Information
Version1.0
Creation Date2026-04-02 23:12:41 UTC
Update Date2026-05-20 18:23:08 UTC
Accession NumberCHEM059011
Identification
Common NameDiosgenin
ClassSmall Molecule
Description
Diosgenin (C27H42O3) is a compound that belongs to the triterpenoids, a subclass of prenol lipids within the organic compounds. Biologically, it functions as an antioxidant, while its industrial applications include use as a softener and conditioner (PMC3867356). The compound is found in or released from 17 recorded sources across several sectors. These include electrical and electronic equipment, such as batteries, capacitors, cell phones, printed circuit boards, and wires and cables. In the food, food processing, and cookware sector, it is associated with food packaging and the preparation of vinegar and wort. It is also found in lubricants within the energy, oil, and gas sector, medical devices in the healthcare, pharmaceuticals, and veterinary products sector, and synthetic textiles, carpets, and rugs within the textiles, leather, and furnishings sector. Additionally, it is present in drinking water and water supply, among two other sectors. Recorded exposure routes for the compound include oral, inhalation, and touch. Regarding health effects, diosgenin is used as a treatment for cancer (PMC10125993). It is also used in the treatment of asthma, leukemia, arthritis, and rheumatoid arthritis (PMC11592201).
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
SynonymsNot Available
Chemical FormulaC27H42O3
Average Molecular MassNot Available
Monoisotopic Mass414.313 g/mol
CAS Registry Number512-04-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI KeyWQLVFSAGQJTQCK-VKROHFNGSA-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 Roles
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
584.0Log mg/kg[330:1000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
arthritisis_treatment_forNot AvailablePMC11592201
canceris_treatment_forNot AvailablePMC10125993
asthmais_treatment_forNot AvailablePMC11592201
rheumatoid arthritisis_treatment_forNot AvailablePMC11592201
leukemiais_treatment_forNot AvailablePMC11592201
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
115Drinking waterDrinking water & water supplyNot 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
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Steroid 17-alpha-hydroxylase/17,20 lyase structureClick to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP05093HumansPredicted (SEA)4.98235
Oxysterol-binding protein 1 structureClick to view 3D structureOxysterol-binding protein 1P22059HumansPredicted (SEA)1.86838
Click to view 3D structureOxysterol-binding protein 2Q969R2HumansPredicted (SEA)1.86838
NPC1-like intracellular cholesterol transporter 1 structureClick to view 3D structureNPC1-like intracellular cholesterol transporter 1Q9UHC9HumansPredicted (SEA)2.02408
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)17.9832
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)7.94062
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)6.38364
Click to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP11715Rattus norvegicusPredicted (SEA)3.03612
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)28.8821
Click to view 3D structureC-8 sterol isomerase ERG2P32352Baker's yeastPredicted (SEA)0.544945
Steroid 21-hydroxylase structureClick to view 3D structureSteroid 21-hydroxylaseP08686HumansPredicted (SEA)5.60514
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)131.487
Click to view 3D structureGlucose-6-phosphate 1-dehydrogenaseQ9GRG7Trypanosoma bruceiPredicted (SEA)4.12601
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)30.8283
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)58.6983
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)49.6678
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)24.8339
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)54.4166
Click to view 3D structureOxysterols receptor LXR-betaQ62755Rattus norvegicusPredicted (SEA)2.56902
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)39.8588
Click to view 3D structureEphrin type-A receptor 7Q61772Mus musculusPredicted (SEA)6.46149
Click to view 3D structureEphrin type-B receptor 3P54754Mus musculusPredicted (SEA)6.46149
Click to view 3D structureEphrin type-B receptor 1P09759Rattus norvegicusPredicted (SEA)6.46149
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)51.5362
3-oxo-5-alpha-steroid 4-dehydrogenase 2 structureClick to view 3D structure3-oxo-5-alpha-steroid 4-dehydrogenase 2P31213HumansPredicted (SEA)8.87481
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available