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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-07-25 00:11:14 UTC
Update Date2023-02-21 17:17:52 UTC
HMDB IDHMDB0012992
Secondary Accession Numbers
  • HMDB12992
Metabolite Identification
Common NameLeukoaminochrome
DescriptionLeukoaminochrome, also known as 5,6-indolinediol or indoline-5,6-diol, belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. Leukoaminochrome is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on Leukoaminochrome.
Structure
Thumb
Synonyms
ValueSource
2,3-Dihydro-5,6-dihydroxyindoleChEBI
2-Descarboxy-cyclo-dopaChEBI
5,6-Dihydroxy-2,3-dihydroindoleChEBI
5,6-DihydroxyindolineChEBI
5,6-IndolinediolChEBI
56DHInnChEBI
Indoline-5,6-diolChEBI
LeucoaminochromeHMDB
Chemical FormulaC8H9NO2
Average Molecular Weight151.1626
Monoisotopic Molecular Weight151.063328537
IUPAC Name2,3-dihydro-1H-indole-5,6-diol
Traditional Name2,3-dihydro-1H-indole-5,6-diol
CAS Registry Number29539-03-5
SMILES
OC1=C(O)C=C2NCCC2=C1
InChI Identifier
InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9-11H,1-2H2
InChI KeyVGSVNUGKHOVSPK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassIndolines
Direct ParentIndolines
Alternative Parents
Substituents
  • Dihydroindole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Secondary aliphatic/aromatic amine
  • Benzenoid
  • Azacycle
  • Secondary amine
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility17270 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029236
KNApSAcK IDNot Available
Chemspider ID129893
KEGG Compound IDC17756
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound147311
PDB IDNot Available
ChEBI ID74683
Food Biomarker OntologyNot Available
VMH IDCE5665
MarkerDB IDNot Available
Good Scents IDrw1727211
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available