N-[1-[2-(2-hydroxyethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl]-8-(5-methoxy-6-oxo-2,3-dihydropyran-2-yl)-6-methylnona-2,4,6-trienamide (CED0301180)

Record Information
Version1.0
Creation Date2026-08-31 16:13:21 UTC
Update Date2026-08-31 16:13:21 UTC
Accession NumberCHEM346769
Identification
Common NameN-[1-[2-(2-hydroxyethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl]-8-(5-methoxy-6-oxo-2,3-dihydropyran-2-yl)-6-methylnona-2,4,6-trienamide
ClassSmall Molecule
Description
N-[1-[2-(2-hydroxyethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl]-8-(5-methoxy-6-oxo-2,3-dihydropyran-2-yl)-6-methylnona-2,4,6-trienamide is a chemical compound with the formula C30H40N2O6. With an average molecular weight of 524.60 g/mol, N-[1-[2-(2-hydroxyethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl]-8-(5-methoxy-6-oxo-2,3-dihydropyran-2-yl)-6-methylnona-2,4,6-trienamide is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC30H40N2O6
Average Molecular MassNot Available
Monoisotopic Mass524.289 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C=C(C)C=CC=CC(=O)NC(C(=O)NC1=CC=CC=C1CCO)C(C)(C)C)C2CC=C(C(=O)O2)OC
InChI IdentifierInChI=1S/C30H40N2O6/c1-20(19-21(2)24-15-16-25(37-6)29(36)38-24)11-7-10-14-26(34)32-27(30(3,4)5)28(35)31-23-13-9-8-12-22(23)17-18-33/h7-14,16,19,21,24,27,33H,15,17-18H2,1-6H3,(H,31,35)(H,32,34)
InChI KeyDPEJRAZXPDJXQX-UHFFFAOYSA-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
2155.0Log mg/kg[1200:3800]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
Peptide deformylase structureClick to view 3D structurePeptide deformylaseQ9I7A8Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)6.61718
Click to view 3D structureSerine/threonine-protein phosphatase 2A catalytic subunit alpha isoformP67774Bos taurusPredicted (SEA)32.1517
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)1853.67
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)1187.9
Peptidase 1 structureClick to view 3D structurePeptidase 1P08176Dermatophagoides pteronyssinusPredicted (SEA)77.8492
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)1899.29
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)1840.67
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)4135.35
Proteasome subunit beta type-8 structureClick to view 3D structureProteasome subunit beta type-8P28062HumansPredicted (SEA)632.058
Click to view 3D structurePantothenate kinase, putativeQ8ILP4Plasmodium falciparum (isolate 3D7)Predicted (SEA)139.895
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)2689.69
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)2103.33
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)1813.58
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)1627.75
Proteasome subunit beta type-5 structureClick to view 3D structureProteasome subunit beta type-5P28074HumansPredicted (SEA)1008.15
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)2098.89
Caspase-1 structureClick to view 3D structureCaspase-1P29466HumansPredicted (SEA)545.879
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)2065.81
Caspase-6 structureClick to view 3D structureCaspase-6P55212HumansPredicted (SEA)457.286
Caspase-8 structureClick to view 3D structureCaspase-8Q14790HumansPredicted (SEA)455.184
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)2080.52
Proteasome subunit beta type-2 structureClick to view 3D structureProteasome subunit beta type-2P49721HumansPredicted (SEA)853.617
Caspase-9 structureClick to view 3D structureCaspase-9P55211HumansPredicted (SEA)470.832
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)1918.13
Proteasome subunit beta type-4 structureClick to view 3D structureProteasome subunit beta type-4P28070HumansPredicted (SEA)440.393
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available