[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium (CED0058678)

Record Information
Version1.0
Creation Date2026-08-19 20:14:40 UTC
Update Date2026-08-19 20:14:40 UTC
SynCED IDCED0058678
Secondary Accession Numbers
  • CHEM192795
Identification
Common Name[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
ClassSmall Molecule
Description
[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C17H19N2O+ and an average molecular weight of 267.34 g/mol. It has been identified in one recorded source, specifically within household cleaning and consumer products such as soap detergents.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC17H19N2O+
Average Molecular Mass267.340 g/mol
Monoisotopic Mass267.150 g/mol
CAS Registry Number17817-77-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1
InChI KeyMTENKDNBVMPHAS-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
216.0 Log mg/kg [120:380]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.382
Statistical Significance
0.0159
Supporting Reference Compounds
109
E-value
123.625
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.382
Statistical Significance
0.0403
Supporting Reference Compounds
241
E-value
313.421
Microtubule-associated protein tau structureClick to view 3D structureMicrotubule-associated protein tauP10636HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.382
Statistical Significance
0.0045
Supporting Reference Compounds
26
E-value
35.2657
Synaptojanin-1 structureClick to view 3D structureSynaptojanin-1O43426HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.259 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Deoxyribonuclease-1 structureClick to view 3D structureDeoxyribonuclease-1P24855HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
1.90e-04
Supporting Reference Compounds
1
E-value
1.47914
Click to view 3D structureDickkopf-related protein 1O54908Mus musculusPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.245 Low confidence
Statistical Significance
5.80e-04
Supporting Reference Compounds
1
E-value
4.51525
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.25 Low confidence
Statistical Significance
0.3443
Supporting Reference Compounds
553
E-value
2680.35
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0957
Supporting Reference Compounds
114
E-value
744.706
Click to view 3D structurePatatin-like phospholipase domain-containing protein 2Q8BJ56Mus musculusPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0092
Supporting Reference Compounds
2
E-value
71.3099
Click to view 3D structureGlutathione reductaseO15770Plasmodium falciparum 3D7Predicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.382
Statistical Significance
1.40e-04
Supporting Reference Compounds
2
E-value
1.08989
Low-density lipoprotein receptor-related protein 6 structureClick to view 3D structureLow-density lipoprotein receptor-related protein 6O75581HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.245 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
2
E-value
9.73115
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.289 Low confidence
Statistical Significance
0.3552
Supporting Reference Compounds
315
E-value
2765.2
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0922
Supporting Reference Compounds
104
E-value
717.692
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.244 Low confidence
Statistical Significance
0.5981
Supporting Reference Compounds
497
E-value
4656.16
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.323
Statistical Significance
0.0361
Supporting Reference Compounds
68
E-value
281.269
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.217 Low confidence
Statistical Significance
0.6607
Supporting Reference Compounds
597
E-value
5143.42
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.267 Low confidence
Statistical Significance
0.3041
Supporting Reference Compounds
205
E-value
2367.39
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.267 Low confidence
Statistical Significance
0.5442
Supporting Reference Compounds
406
E-value
4236.55
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.25 Low confidence
Statistical Significance
0.8483
Supporting Reference Compounds
1022
E-value
6604.1
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0353
Supporting Reference Compounds
38
E-value
274.652
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.25 Low confidence
Statistical Significance
0.816
Supporting Reference Compounds
707
E-value
6352.19
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.25 Low confidence
Statistical Significance
0.8904
Supporting Reference Compounds
1301
E-value
6931.62
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.267 Low confidence
Statistical Significance
0.5069
Supporting Reference Compounds
234
E-value
3945.94
Click to view 3D structurePolyamine deacetylase HDAC10Q969S8HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.244 Low confidence
Statistical Significance
0.4333
Supporting Reference Compounds
130
E-value
3373.05
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.259 Low confidence
Statistical Significance
0.8325
Supporting Reference Compounds
674
E-value
6481.34
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available