Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:00:34 UTC
Update Date2021-09-14 14:58:52 UTC
HMDB IDHMDB0013950
Secondary Accession Numbers
  • HMDB13950
Metabolite Identification
Common Name1-Hydroxycarvedilol
Description1-Hydroxycarvedilol belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Based on a literature review a significant number of articles have been published on 1-Hydroxycarvedilol.
Structure
Data?1582753157
SynonymsNot Available
Chemical FormulaC24H26N2O5
Average Molecular Weight422.4736
Monoisotopic Molecular Weight422.184171952
IUPAC Name4-(2-hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy)-9H-carbazol-1-ol
Traditional Name4-(2-hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy)-9H-carbazol-1-ol
CAS Registry NumberNot Available
SMILES
COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N2
InChI Identifier
InChI=1S/C24H26N2O5/c1-29-20-8-4-5-9-21(20)30-13-12-25-14-16(27)15-31-22-11-10-19(28)24-23(22)17-6-2-3-7-18(17)26-24/h2-11,16,25-28H,12-15H2,1H3
InChI KeyUQJJKVKQRTUYJW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassCarbazoles
Direct ParentCarbazoles
Alternative Parents
Substituents
  • Carbazole
  • Hydroxyindole
  • Indole
  • Phenoxy compound
  • Anisole
  • Phenol ether
  • Methoxybenzene
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Heteroaromatic compound
  • Pyrrole
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Azacycle
  • Ether
  • Secondary aliphatic amine
  • Secondary amine
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.015 g/LALOGPS
logP3.02ALOGPS
logP2.7ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)9.27ChemAxon
pKa (Strongest Basic)8.59ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area95.97 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity117.62 m³·mol⁻¹ChemAxon
Polarizability46.08 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+197.49131661259
DarkChem[M-H]-196.5731661259
DeepCCS[M+H]+188.88430932474
DeepCCS[M-H]-186.52630932474
DeepCCS[M-2H]-220.79330932474
DeepCCS[M+Na]+196.81530932474
AllCCS[M+H]+204.232859911
AllCCS[M+H-H2O]+201.732859911
AllCCS[M+NH4]+206.532859911
AllCCS[M+Na]+207.132859911
AllCCS[M-H]-201.232859911
AllCCS[M+Na-2H]-201.432859911
AllCCS[M+HCOO]-201.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-HydroxycarvedilolCOC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N24820.3Standard polar33892256
1-HydroxycarvedilolCOC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N23716.7Standard non polar33892256
1-HydroxycarvedilolCOC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N24039.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1-Hydroxycarvedilol,1TMS,isomer #1COC1=CC=CC=C1OCCNCC(COC1=CC=C(O)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C3933.7Semi standard non polar33892256
1-Hydroxycarvedilol,1TMS,isomer #2COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1[NH]23906.8Semi standard non polar33892256
1-Hydroxycarvedilol,1TMS,isomer #3COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1[NH]2)[Si](C)(C)C3949.2Semi standard non polar33892256
1-Hydroxycarvedilol,1TMS,isomer #4COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C3910.4Semi standard non polar33892256
1-Hydroxycarvedilol,2TMS,isomer #1COC1=CC=CC=C1OCCNCC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C3803.3Semi standard non polar33892256
1-Hydroxycarvedilol,2TMS,isomer #2COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C)[Si](C)(C)C3923.3Semi standard non polar33892256
1-Hydroxycarvedilol,2TMS,isomer #3COC1=CC=CC=C1OCCNCC(COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C3813.2Semi standard non polar33892256
1-Hydroxycarvedilol,2TMS,isomer #4COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1[NH]2)[Si](C)(C)C3826.5Semi standard non polar33892256
1-Hydroxycarvedilol,2TMS,isomer #5COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C3822.9Semi standard non polar33892256
1-Hydroxycarvedilol,2TMS,isomer #6COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)[Si](C)(C)C3843.5Semi standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C)[Si](C)(C)C3833.3Semi standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C)[Si](C)(C)C3650.4Standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C)[Si](C)(C)C4465.8Standard polar33892256
1-Hydroxycarvedilol,3TMS,isomer #2COC1=CC=CC=C1OCCNCC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C3765.5Semi standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #2COC1=CC=CC=C1OCCNCC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C3508.6Standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #2COC1=CC=CC=C1OCCNCC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C4276.3Standard polar33892256
1-Hydroxycarvedilol,3TMS,isomer #3COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C3860.7Semi standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #3COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C3631.5Standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #3COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C4458.1Standard polar33892256
1-Hydroxycarvedilol,3TMS,isomer #4COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)[Si](C)(C)C3797.3Semi standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #4COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)[Si](C)(C)C3571.0Standard non polar33892256
1-Hydroxycarvedilol,3TMS,isomer #4COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)[Si](C)(C)C4447.9Standard polar33892256
1-Hydroxycarvedilol,4TMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C3838.7Semi standard non polar33892256
1-Hydroxycarvedilol,4TMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C3531.4Standard non polar33892256
1-Hydroxycarvedilol,4TMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C4192.4Standard polar33892256
1-Hydroxycarvedilol,1TBDMS,isomer #1COC1=CC=CC=C1OCCNCC(COC1=CC=C(O)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C(C)(C)C4176.4Semi standard non polar33892256
1-Hydroxycarvedilol,1TBDMS,isomer #2COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1[NH]24106.6Semi standard non polar33892256
1-Hydroxycarvedilol,1TBDMS,isomer #3COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1[NH]2)[Si](C)(C)C(C)(C)C4187.5Semi standard non polar33892256
1-Hydroxycarvedilol,1TBDMS,isomer #4COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C4080.7Semi standard non polar33892256
1-Hydroxycarvedilol,2TBDMS,isomer #1COC1=CC=CC=C1OCCNCC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C(C)(C)C4194.6Semi standard non polar33892256
1-Hydroxycarvedilol,2TBDMS,isomer #2COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4372.0Semi standard non polar33892256
1-Hydroxycarvedilol,2TBDMS,isomer #3COC1=CC=CC=C1OCCNCC(COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4185.1Semi standard non polar33892256
1-Hydroxycarvedilol,2TBDMS,isomer #4COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1[NH]2)[Si](C)(C)C(C)(C)C4273.8Semi standard non polar33892256
1-Hydroxycarvedilol,2TBDMS,isomer #5COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C4167.4Semi standard non polar33892256
1-Hydroxycarvedilol,2TBDMS,isomer #6COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4244.3Semi standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4443.4Semi standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4153.5Standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1[NH]2)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4575.9Standard polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #2COC1=CC=CC=C1OCCNCC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4273.6Semi standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #2COC1=CC=CC=C1OCCNCC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4020.8Standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #2COC1=CC=CC=C1OCCNCC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4399.1Standard polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #3COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4415.3Semi standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #3COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4131.0Standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #3COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4538.7Standard polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #4COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4359.8Semi standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #4COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4047.3Standard non polar33892256
1-Hydroxycarvedilol,3TBDMS,isomer #4COC1=CC=CC=C1OCCN(CC(O)COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4548.4Standard polar33892256
1-Hydroxycarvedilol,4TBDMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4522.5Semi standard non polar33892256
1-Hydroxycarvedilol,4TBDMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4163.0Standard non polar33892256
1-Hydroxycarvedilol,4TBDMS,isomer #1COC1=CC=CC=C1OCCN(CC(COC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4354.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1-Hydroxycarvedilol GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ow-4980100000-0f085b396ba5027b565b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Hydroxycarvedilol GC-MS (2 TMS) - 70eV, Positivesplash10-0h4o-6749230000-477de223418b01332de42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Hydroxycarvedilol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 10V, Positive-QTOFsplash10-00di-0450900000-43573af89a3f0d4496812016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 20V, Positive-QTOFsplash10-0kh9-2790200000-ad21a57051c80de149af2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 40V, Positive-QTOFsplash10-0pc0-6910000000-edc898aac4d6becbf4642016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 10V, Negative-QTOFsplash10-00di-0920700000-3c5b71809f9df898c3752016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 20V, Negative-QTOFsplash10-0002-0900000000-f455a88c65200e1f8a5e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 40V, Negative-QTOFsplash10-00kb-1900000000-8ec7bbfd36df031366dc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 10V, Positive-QTOFsplash10-00dj-0290700000-79a5f467ecda4672c85a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 20V, Positive-QTOFsplash10-0udi-0590200000-321aeaa9277b604e4f6b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 40V, Positive-QTOFsplash10-0udi-3930000000-5b3e1586bbedfc0c6a192021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 10V, Negative-QTOFsplash10-00di-0500900000-caf55dd3329c3d657a912021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 20V, Negative-QTOFsplash10-00kb-2941400000-13f364c85c0127a3e39e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Hydroxycarvedilol 40V, Negative-QTOFsplash10-00kb-1900000000-1de11fb882390516b6ee2021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID158745
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound182523
PDB IDNot Available
ChEBI ID175370
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available