3-[(2z,5z)-5-[[2,4-bis(ethenyl)-3-methyl-2h-pyrrol-5-yl]methylidene]-2-[[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methylpyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid (CED0304009)

Record Information
Version1.0
Creation Date2026-08-31 20:46:52 UTC
Update Date2026-08-31 20:46:52 UTC
Accession NumberCHEM349620
Identification
Common Name3-[(2z,5z)-5-[[2,4-bis(ethenyl)-3-methyl-2h-pyrrol-5-yl]methylidene]-2-[[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methylpyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
ClassSmall Molecule
Description
3-[(2z,5z)-5-[[2,4-bis(ethenyl)-3-methyl-2h-pyrrol-5-yl]methylidene]-2-[[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methylpyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid is a chemical compound with the formula C35H38N4O4. With an average molecular weight of 578.70 g/mol, 3-[(2z,5z)-5-[[2,4-bis(ethenyl)-3-methyl-2h-pyrrol-5-yl]methylidene]-2-[[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methylpyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid is a heavy molecule. This substance has been identified in or released from one recorded source, which is building and construction materials specifically related to tents or canopies.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC35H38N4O4
Average Molecular MassNot Available
Monoisotopic Mass578.289 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=C(C(=NC1C=C)C=C2C(=C(C(=CC3=C(C(=C(N3)C=C4C(=C(C=N4)C=C)C)C)CCC(=O)O)N2)CCC(=O)O)C)C=C
InChI IdentifierInChI=1S/C35H38N4O4/c1-8-23-18-36-28(19(23)4)15-29-21(6)25(11-13-34(40)41)32(38-29)17-33-26(12-14-35(42)43)22(7)30(39-33)16-31-24(9-2)20(5)27(10-3)37-31/h8-10,15-18,27,38-39H,1-3,11-14H2,4-7H3,(H,40,41)(H,42,43)/b28-15-,30-16-,33-17-
InChI KeyFHBLBMGHMWBSCJ-HIODFFOQSA-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
3826.0Log mg/kg[2200:6800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)2548.47
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)3149.08
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)2763.96
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)4424.95
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)5608.8
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)6216.42
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)6645.37
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)6392.36
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)6337.08
Click to view 3D structureMitogen-activated protein kinase kinase kinase kinase 2Q12851HumansPredicted (SEA)6366.74
Serine/threonine-protein kinase 3 structureClick to view 3D structureSerine/threonine-protein kinase 3Q13188HumansPredicted (SEA)6311.55
Vascular endothelial growth factor receptor 1 structureClick to view 3D structureVascular endothelial growth factor receptor 1P17948HumansPredicted (SEA)6438.91
Click to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit epsilonQ14164HumansPredicted (SEA)5719.5
Ribosomal protein S6 kinase alpha-5 structureClick to view 3D structureRibosomal protein S6 kinase alpha-5O75582HumansPredicted (SEA)5880.65
Click to view 3D structureUracil nucleotide/cysteinyl leukotriene receptorQ09QM4Rattus norvegicusPredicted (SEA)127.206
Click to view 3D structureReplicative DNA helicaseA0A6L8Q2B7Bacillus anthracisPredicted (SEA)437.357
Small ubiquitin-related modifier 1 structureClick to view 3D structureSmall ubiquitin-related modifier 1P63165HumansPredicted (SEA)3326.19
Click to view 3D structureUracil nucleotide/cysteinyl leukotriene receptorQ6NS65Mus musculusPredicted (SEA)129.074
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)7289.96
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)7236.47
Macrophage colony-stimulating factor 1 receptor structureClick to view 3D structureMacrophage colony-stimulating factor 1 receptorP07333HumansPredicted (SEA)7294.71
5'-AMP-activated protein kinase catalytic subunit alpha-1 structureClick to view 3D structure5'-AMP-activated protein kinase catalytic subunit alpha-1Q13131HumansPredicted (SEA)7192.18
Click to view 3D structureTyrosine-protein kinase BlkP51451HumansPredicted (SEA)7240.13
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)7395.44
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)7577.92
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available