Record Information
Version1.0
Creation date2010-04-08 22:09:24 UTC
Update date2019-11-26 03:04:24 UTC
Primary IDFDB010973
Secondary Accession Numbers
  • FDB030938
Chemical Information
FooDB NameTryptophol
DescriptionIndole-3-ethanol is a dietary indole present in cruciferous vegetables that has been shown to influence estradiol metabolism in humans and may provide a new chemopreventive approach to estrogen-dependent diseases. (PMID 2342128) 3-Indole ethanol has been identified as the hypnotic agent in trypanosomal sleeping sickness, and because it is formed in vivo after ethanol or disulfiram treatment, is also associated with the study of alcoholism. (PMID 7241135) [HMDB]. Tryptophol is found in many foods, some of which are linden, cupuaçu, black-eyed pea, and mango.
CAS Number526-55-6
Structure
Thumb
Synonyms
SynonymSource
1H-Indole-3-ethanolChEBI
1H-Indole-3-ethanol, 9CIdb_source
1H-Indolyl-3-ethanolChEBI
2-(1H-indol-3-yl)EthanolHMDB
2-(3-Indolyl)ethanoldb_source
2-(3-IndolylethanolHMDB
2-(indol-3-yl)EthanolChEBI
3-(2-Hydroxyethyl)indoleChEBI
3-(b-Hydroxyethyl)indoleHMDB
3-(beta-Hydroxyethyl)indoleHMDB
3-IndoleethanolHMDB
3-IndolylethanolHMDB
b-(3-Indole)ethanolHMDB
beta-(3-Indole)ethanolHMDB
beta-indol-3-YlethanolHMDB
DL-TryptophanolHMDB
IEAHMDB
Indole ethanolHMDB
Indole-3-ethanolChEBI
IndoleethanolHMDB
TryptophanolChEBI
Tryptopholdb_source
Predicted PropertiesNot Available
Chemical FormulaC10H11NO
IUPAC name
InChI IdentifierInChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChI KeyMBBOMCVGYCRMEA-UHFFFAOYSA-N
Isomeric SMILESOCCC1=CNC2=CC=CC=C12
Average Molecular Weight161.2004
Monoisotopic Molecular Weight161.084063979
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Biological location:

Source:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 74.51%; H 6.88%; N 8.69%; O 9.93%DFC
Melting PointNot Available
Boiling PointBp2 174°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID10235
ChEMBL IDCHEMBL226545
KEGG Compound IDC00955
Pubchem Compound ID10685
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB03447
CRC / DFC (Dictionary of Food Compounds) IDFXH84-Q:FXH84-Q
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDC00000114
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.