Ingenol mebutate (CED0009000)

Record Information
Version1.0
Creation Date2026-04-14 15:30:58 UTC
Update Date2026-05-14 18:12:12 UTC
Accession NumberCHEM129090
Identification
Common NameIngenol mebutate
ClassSmall Molecule
Description
Ingenol mebutate is an organic compound with the formula C25H34O6 and an average molecular weight of 430.54 g/mol. Ingenol mebutate belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. This compound is recorded as being found in or released from healthcare, pharmaceuticals, and veterinary products, specifically within the category of chemotherapeutics. The recorded route of exposure for this substance is topical. In terms of biological activity, ingenol mebutate acts as a ligand for two recorded protein targets: Protein kinase C alpha type (PRKCA) and Protein kinase C delta type (PRKCD).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC25H34O6
Average Molecular Mass430.541 g/mol
Monoisotopic Mass430.236 g/mol
CAS Registry Number75567-37-2
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(CO)=C[C@@]([H])(C4=O)[C@]1([H])C2(C)C
InChI IdentifierInChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1
InChI KeyVDJHFHXMUKFKET-UXMMOKKRSA-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
448.0Log mg/kg[250:800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
307ChemotherapeuticsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Protein kinase C delta type structureClick to view 3D structureProtein kinase C delta typeQ05655HumansPredicted (SEA)4178.01
Protein kinase C beta type structureClick to view 3D structureProtein kinase C beta typeP05771HumansPredicted (SEA)1970.44
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)1174.67
Click to view 3D structureFumarate reductaseF1KRD8Ascaris suumPredicted (SEA)0.389246
Proto-oncogene vav structureClick to view 3D structureProto-oncogene vavP15498HumansPredicted (SEA)1.94623
Click to view 3D structureNuclear receptor subfamily 1 group I member 2Q9R1A7Rattus norvegicusPredicted (SEA)10.5875
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)2484.56
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)104.318
Protein kinase C gamma type structureClick to view 3D structureProtein kinase C gamma typeP05129HumansPredicted (SEA)6300.49
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)1468.39
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 1O14983HumansPredicted (SEA)3.11397
Pyruvate carboxylase, mitochondrial structureClick to view 3D structurePyruvate carboxylase, mitochondrialP11498HumansPredicted (SEA)6.15009
Click to view 3D structureProstaglandin reductase 1P97584Rattus norvegicusPredicted (SEA)0.622794
Click to view 3D structureGlucocorticoid receptorP06536Rattus norvegicusPredicted (SEA)166.987
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)3485.62
Click to view 3D structureTyrosine aminotransferaseP04694Rattus norvegicusPredicted (SEA)6.69503
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 1P04191Oryctolagus cuniculusPredicted (SEA)49.8235
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)5643.83
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)1180.12
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)73.2561
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)142.386
Click to view 3D structureEndoplasminP41148Canis lupus familiarisPredicted (SEA)356.783
Click to view 3D structureTranscriptional activator MybP01103Gallus gallusPredicted (SEA)8.64126
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)6559.34
Click to view 3D structureVacuolar acid trehalaseP48016Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)Predicted (SEA)4.82665
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available