indole-3-glycol (PAMDB120202)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120202
Identification
Name: indole-3-glycol
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C10H11NO2
Average Molecular Weight: 177.202
Monoisotopic Molecular Weight: 177.07898
InChI Key: XNJDZRGYWQBBMZ-UHFFFAOYSA-N
InChI:InChI=1S/C10H11NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-13H,6H2
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C2(=C(C1(C=CC=CC=1N2))C(O)CO)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Indoles and derivatives
Sub ClassIndoles
Direct Parent 3-alkylindoles
Alternative Parents
Substituents
  • 3-alkylindole
  • Substituted pyrrole
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • 1,2-diol
  • Secondary alcohol
  • Azacycle
  • Organic nitrogen compound
  • Aromatic alcohol
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a small molecule (INDOLE-3-GLYCOL)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer25202910 PubChem
Molecular Weight177.203 g/molPubChem
XLogP30.7 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count2 PubChem
Rotatable Bond Count2 PubChem
Exact Mass177.079 g/molPubChem
Monoisotopic Mass177.079 g/molPubChem
Topological Polar Surface Area56.2 A^2PubChem
Heavy Atom Count13 PubChem
Formal Charge0 PubChem
Complexity174 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count1 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
indole-3-glycol + NAD+ → indole-3-glycol aldehyde + NADH + Hydrogen ion
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PUBCHEM25202910