((1-Amino-2-naphthyl)oxy)acetic acid (CED0136090)

Record Information
Version1.0
Creation Date2026-04-04 15:17:43 UTC
Update Date2026-04-04 15:17:43 UTC
Accession NumberCHEM075902
Identification
Common Name((1-Amino-2-naphthyl)oxy)acetic acid
ClassSmall Molecule
Description
((1-Amino-2-naphthyl)oxy)acetic acid belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C12H11N1O3 and an average molecular weight of 217.22 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC12H11N1O3
Average Molecular Mass217.224 g/mol
Monoisotopic Mass217.074 g/mol
CAS Registry Number85237-53-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNC1=C(OCC(O)=O)C=CC2=CC=CC=C12
InChI IdentifierInChI=1S/C12H11NO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7,13H2,(H,14,15)
InChI KeyYUDGWDNZKSVTHL-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
1264.0Log mg/kg[710:2200]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 structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)0.700643
Click to view 3D structureGroup IIF secretory phospholipase A2Q9BZM2HumansPredicted (SEA)1.79053
Click to view 3D structureGroup IIF secretory phospholipase A2Q9QZT4Mus musculusPredicted (SEA)1.79053
Click to view 3D structureGroup IID secretory phospholipase A2Q9WVF6Mus musculusPredicted (SEA)1.79053
Phospholipase A2 structureClick to view 3D structurePhospholipase A2P04054HumansPredicted (SEA)3.81461
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)5.68299
Click to view 3D structurePhospholipase A2, membrane associatedP31482Mus musculusPredicted (SEA)2.80257
Click to view 3D structurePhospholipase A2 group VP39877HumansPredicted (SEA)3.26967
Group 10 secretory phospholipase A2 structureClick to view 3D structureGroup 10 secretory phospholipase A2O15496HumansPredicted (SEA)2.95827
Click to view 3D structurePhospholipase A2 group VP97391Mus musculusPredicted (SEA)2.17978
Click to view 3D structureGroup 10 secretory phospholipase A2Q9QXX3Mus musculusPredicted (SEA)2.25763
Click to view 3D structureGroup IIE secretory phospholipase A2Q9QUL3Mus musculusPredicted (SEA)1.86838
Click to view 3D structurePhospholipase A2Q9Z0Y2Mus musculusPredicted (SEA)1.86838
Group IIE secretory phospholipase A2 structureClick to view 3D structureGroup IIE secretory phospholipase A2Q9NZK7HumansPredicted (SEA)1.86838
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)617.5
Click to view 3D structureGroup IID secretory phospholipase A2Q9UNK4HumansPredicted (SEA)1.47914
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)22.4206
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)333.817
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)200.929
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)298.163
Click to view 3D structureGroup IIC secretory phospholipase A2P48076Mus musculusPredicted (SEA)2.02408
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)198.516
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)532.255
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)25.3788
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)897.134
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available