Xibornol (CED0033715)

Record Information
Version1.0
Creation Date2026-03-31 20:54:53 UTC
Update Date2026-05-14 19:36:21 UTC
Accession NumberCHEM057914
Identification
Common NameXibornol
ClassSmall Molecule
Description
Xibornol is an organic compound with the formula C18H26O1 and an average molecular weight of 258.40 g/mol. Xibornol belongs to the cyclohexylphenols, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for Xibornol include oral and inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC18H26O1
Average Molecular Mass258.405 g/mol
Monoisotopic Mass258.198 g/mol
CAS Registry Number34632-99-0;38237-68-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CC(O)=C(C=C1C)[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChI IdentifierInChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3
InChI KeyRNRHMQWZFJXKLZ-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
2137.0Log mg/kg[1200:3800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
545Food PreservationFood, food processing & cookwareNot Available
632ApparelTextiles, leather & furnishingsNot Available
696NanotechnologyIndustrial manufacturing & chemical processingNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)39.9366
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)4491.12
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)5157.35
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)5812.15
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7259.83
Click to view 3D structureAdenylate cyclase type 5Q04400Rattus norvegicusPredicted (SEA)54.3388
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)1854.76
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)5551.97
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)1809.68
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)2194.73
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)4548.19
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)5313.29
Glutathione reductase structureClick to view 3D structureGlutathione reductaseP41921Saccharomyces cerevisiae S288cPredicted (SEA)2.25763
Androgen receptor structureClick to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)142.075
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)815.237
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)40.6373
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)3089.76
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)1245.82
17-beta-hydroxysteroid dehydrogenase type 1 structureClick to view 3D structure17-beta-hydroxysteroid dehydrogenase type 1P14061HumansPredicted (SEA)180.532
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)50.2906
E3 ubiquitin-protein ligase ZFP91 structureClick to view 3D structureE3 ubiquitin-protein ligase ZFP91Q96JP5HumansPredicted (SEA)14.1686
Click to view 3D structure4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5Q11128HumansPredicted (SEA)2.33548
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)250.752
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)4598.09
Click to view 3D structureThioredoxin reductase 2, mitochondrialQ9Z0J5Rattus norvegicusPredicted (SEA)4.35956
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available