FComEx: indole-3-ethanol (PC000669)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:52 UTC

Update date

2017-01-19 02:36:32 UTC

FoodComEx ID

PC000669

FoodDB Record

Not Available

Chemical Information

Name

indole-3-ethanol

Description

Tryptophanol, also known as indole-3-ethanol or 3-(2-hydroxyethyl)indole, is a member of the class of compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Tryptophanol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Tryptophanol can be found in a number of food items such as mixed nuts, butternut, rape, and atlantic herring, which makes tryptophanol a potential biomarker for the consumption of these food products. Tryptophanol exists in all eukaryotes, ranging from yeast to humans.

CAS Number

526-55-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source

Chemical Formula

Not Available

IUPAC name

Not Available

InChI Identifier

InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2

InChI Key

MBBOMCVGYCRMEA-UHFFFAOYSA-N

Isomeric SMILES

OCCC1=CNC2=CC=CC=C12

Average Molecular Weight

161.2004

Monoisotopic Molecular Weight

161.084063979

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indoles

Direct Parent

3-alkylindoles

Alternative Parents