(4-decoxy-2-hydroxyphenyl)-phenylmethanone (CED0287502)

Record Information
Version1.0
Creation Date2026-08-30 19:45:35 UTC
Update Date2026-08-30 19:45:35 UTC
SynCED IDCED0287502
Secondary Accession Numbers
  • CHEM332947
Identification
Common Name(4-decoxy-2-hydroxyphenyl)-phenylmethanone
ClassSmall Molecule
Description
(4-decoxy-2-hydroxyphenyl)-phenylmethanone is a chemical compound with the formula C23H30O3. It has an average molecular weight of 354.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC23H30O3
Average Molecular MassNot Available
Monoisotopic Mass354.219 g/mol
CAS Registry Number2162-63-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI IdentifierInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-12-17-26-20-15-16-21(22(24)18-20)23(25)19-13-10-9-11-14-19/h9-11,13-16,18,24H,2-8,12,17H2,1H3
InChI KeyJQSSXIRDGUMPNP-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
5471.0 Log mg/kg [3100:9700]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentNot Available
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsNot Available
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 & cosmeticsNot Available
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 processingNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.535
Applicability Domain
0.535
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.426
Statistical Significance
0.009
Supporting Reference Compounds
206
E-value
70.22
Click to view 3D structureLong-chain-fatty-acid--CoA ligase 6Q9UKU0HumansPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.362
Statistical Significance
2.80e-04
Supporting Reference Compounds
1
E-value
2.17978
Click to view 3D structureCytosolic phospholipase A2 betaP0C869HumansPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.479
Statistical Significance
2.20e-04
Supporting Reference Compounds
4
E-value
1.71268
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.426
Statistical Significance
0.0053
Supporting Reference Compounds
95
E-value
41.4936
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.36
Statistical Significance
8.10e-04
Supporting Reference Compounds
1
E-value
6.30579
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.479
Statistical Significance
0.0028
Supporting Reference Compounds
102
E-value
22.1092
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.417
Statistical Significance
0.0052
Supporting Reference Compounds
201
E-value
40.1702
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.426
Statistical Significance
0.0054
Supporting Reference Compounds
109
E-value
42.35
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.426
Statistical Significance
0.0126
Supporting Reference Compounds
315
E-value
98.2457
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.382
Statistical Significance
0.0052
Supporting Reference Compounds
127
E-value
40.3259
Transient receptor potential cation channel subfamily V member 3 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8K424Mus musculusPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.339
Statistical Significance
0.0019
Supporting Reference Compounds
1
E-value
15.1806
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.392
Statistical Significance
0.0017
Supporting Reference Compounds
166
E-value
13.3901
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.382
Statistical Significance
0.0088
Supporting Reference Compounds
192
E-value
68.1959
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.367
Statistical Significance
0.0313
Supporting Reference Compounds
793
E-value
243.512
Mas-related G-protein coupled receptor member X4 structureClick to view 3D structureMas-related G-protein coupled receptor member X4Q96LA9HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.392
Statistical Significance
0.0013
Supporting Reference Compounds
7
E-value
10.0426
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.382
Statistical Significance
0.0068
Supporting Reference Compounds
182
E-value
52.7818
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.362
Statistical Significance
0.0083
Supporting Reference Compounds
425
E-value
64.4592
Estrogen-related receptor gamma structureClick to view 3D structureEstrogen-related receptor gammaP62508HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.351
Statistical Significance
5.60e-04
Supporting Reference Compounds
18
E-value
4.35956
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.367
Statistical Significance
0.0053
Supporting Reference Compounds
127
E-value
41.2601
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.333
Statistical Significance
0.0966
Supporting Reference Compounds
1498
E-value
751.79
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.367
Statistical Significance
0.0082
Supporting Reference Compounds
175
E-value
63.525
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.354
Statistical Significance
0.0039
Supporting Reference Compounds
205
E-value
30.7504
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.367
Statistical Significance
0.0097
Supporting Reference Compounds
200
E-value
75.903
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.364
Statistical Significance
0.0068
Supporting Reference Compounds
174
E-value
53.3267
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available