(3z)-3-benzylidene-2-benzofuran-1-one (CED0156472)

Record Information
Version1.0
Creation Date2026-08-19 08:47:16 UTC
Update Date2026-08-19 08:47:16 UTC
Accession NumberCHEM182440
Identification
Common Name(3z)-3-benzylidene-2-benzofuran-1-one
ClassSmall Molecule
Description
(3z)-3-benzylidene-2-benzofuran-1-one belongs to the isobenzofuranones, a subclass of isocoumarans within the organic compounds. This organoheterocyclic compound has the chemical formula C15H10O2 and an average molecular weight of 222.24 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H10O2
Average Molecular Mass222.240 g/mol
Monoisotopic Mass222.068 g/mol
CAS Registry Number4767-56-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-
InChI KeyYRTPZXMEBGTPLM-UVTDQMKNSA-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
1646.0Log mg/kg[930:2900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureDual specificity protein phosphataseQ7T2L8Danio rerioPredicted (SEA)0.467095
Click to view 3D structureNAD-dependent histone deacetylase SIR2P06700Saccharomyces cerevisiae S288cPredicted (SEA)0.544945
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)138.105
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)131.409
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)1256.72
Click to view 3D structure17-beta-hydroxysteroid-dehydrogenaseO93874Cochliobolus lunatusPredicted (SEA)6.38364
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)1505.53
M-phase inducer phosphatase 2 structureClick to view 3D structureM-phase inducer phosphatase 2P30305HumansPredicted (SEA)10.7432
Click to view 3D structureVascular endothelial growth factor receptor 1P35969Mus musculusPredicted (SEA)16.6597
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)30.984
Click to view 3D structureVascular endothelial growth factor receptor 2P35918MousePredicted (SEA)52.9375
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)1000.67
Serine/threonine-protein kinase 17B structureClick to view 3D structureSerine/threonine-protein kinase 17BO94768HumansPredicted (SEA)209.103
Click to view 3D structureSortase AQ8CM62Streptococcus mutansPredicted (SEA)19.8516
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)603.176
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)1567.65
Indoleamine 2,3-dioxygenase 1 structureClick to view 3D structureIndoleamine 2,3-dioxygenase 1P14902HumansPredicted (SEA)64.8484
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)1361.82
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)257.525
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)58.3869
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)1698.67
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)2041.52
Click to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)280.257
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)411.122
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)528.285
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available