(+)-Evodiamine (CED0005698)

Record Information
Version1.0
Creation Date2026-04-03 05:07:48 UTC
Update Date2026-08-20 02:16:55 UTC
Accession NumberCHEM061651
Identification
Common Name(+)-Evodiamine
ClassSmall Molecule
Description
(+)-Evodiamine is an organoheterocyclic compound with the formula C19H17N3O1 and an average molecular weight of 303.40 g/mol. (+)-Evodiamine belongs to the pyridoindoles, a subclass of indoles and derivatives within the organic compounds. Regarding its health effects, the compound has a therapeutic effect on cancer (PMC10300961).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H17N3O1
Average Molecular Mass303.400 g/mol
Monoisotopic Mass303.137 g/mol
CAS Registry Number518-17-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
InChI KeyTXDUTHBFYKGSAH-SFHVURJKSA-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
256.0Log mg/kg[140:460]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
cancerhas_therapeutic_effect_onNot AvailablePMC10300961
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
cGMP-specific 3',5'-cyclic phosphodiesterase structureClick to view 3D structurecGMP-specific 3',5'-cyclic phosphodiesteraseO76074HumansPredicted (SEA)0.467095
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)20.1629
Protein kinase C beta type structureClick to view 3D structureProtein kinase C beta typeP05771HumansPredicted (SEA)10.5096
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)43.2063
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)201.474
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)149.782
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A structureClick to view 3D structurecAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10AQ9Y233HumansPredicted (SEA)14.7914
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)53.5603
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)83.5322
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)67.4174
Click to view 3D structureTransient receptor potential cation channel subfamily V member 1O35433Rattus norvegicusPredicted (SEA)5.0602
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)105.797
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)102.138
D(1B) dopamine receptor structureClick to view 3D structureD(1B) dopamine receptorP21918HumansPredicted (SEA)69.2858
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)80.3404
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)176.796
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)73.2561
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)310.541
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)195.012
Click to view 3D structureVoltage-dependent L-type calcium channel subunit alpha-1CP22002Rattus norvegicusPredicted (SEA)4.5931
Click to view 3D structureAlpha-1A adrenergic receptorP18130Bos taurusPredicted (SEA)40.4037
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)148.692
Click to view 3D structureAlpha-2A adrenergic receptorQ28838Bos taurusPredicted (SEA)9.73115
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)181.544
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)940.496
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available