9,10-Anthracenedione, 1-amino-2-(4-chlorophenoxy)-4-hydroxy- (CED0191946)

Record Information
Version1.0
Creation Date2026-04-04 01:29:55 UTC
Update Date2026-08-20 04:28:04 UTC
Accession NumberCHEM070132
Identification
Common Name9,10-Anthracenedione, 1-amino-2-(4-chlorophenoxy)-4-hydroxy-
ClassSmall Molecule
Description
9,10-Anthracenedione, 1-amino-2-(4-chlorophenoxy)-4-hydroxy- belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. This benzenoid compound has the chemical formula C20H12Cl1N1O4 and an average molecular weight of 365.77 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H12Cl1N1O4
Average Molecular Mass365.770 g/mol
Monoisotopic Mass365.045 g/mol
CAS Registry Number42987-34-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNC1=C(OC2=CC=C(Cl)C=C2)C=C(O)C2=C1C(=O)C1=CC=CC=C1C2=O
InChI IdentifierInChI=1S/C20H12ClNO4/c21-10-5-7-11(8-6-10)26-15-9-14(23)16-17(18(15)22)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2
InChI KeyNLVZWCVHFAZLLL-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
8731.0Log mg/kg[4900:16000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)37.0562
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)8.32987
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)28.1036
Click to view 3D structureFemale germline-specific tumor suppressor gld-1Q17339Caenorhabditis elegansPredicted (SEA)0.544945
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)9.41976
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)13.935
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)9.9647
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)14.2464
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)94.8204
Click to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)15.492
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)402.169
Casein kinase I isoform delta structureClick to view 3D structureCasein kinase I isoform deltaP48730HumansPredicted (SEA)406.217
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)769.695
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)64.1478
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)183.646
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)8.95266
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)205.678
Click to view 3D structureHexokinase HKDC1Q2TB90HumansPredicted (SEA)15.492
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)1013.99
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)63.2914
Protein S100-A4 structureClick to view 3D structureProtein S100-A4P26447HumansPredicted (SEA)3.89246
Click to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)48.1887
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)1521.33
Cysteine protease ATG4B structureClick to view 3D structureCysteine protease ATG4BQ9Y4P1HumansPredicted (SEA)25.5345
Homeodomain-interacting protein kinase 2 structureClick to view 3D structureHomeodomain-interacting protein kinase 2Q9H2X6HumansPredicted (SEA)835.556
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available