Record Information
Creation date2015-10-09 22:32:15 UTC
Update date2017-01-19 02:36:34 UTC
FoodComEx IDPC000728
FoodDB RecordFDB022969
Chemical Information
Description5-Methoxytryptophan and other 5-methoxyindoles are often classified as neuromodulators. 5-methoxyindoles are compounds usually associated with the pineal gland, and they are thought to participate in the regulation of the cyclic metabolism of the retina. (PMID 2419712) 5-Methoxytryptophan is reduced in the urine of parients with liver disease. (PMID: 13905029) [HMDB]
CAS Number2504-22-5
Chemical FormulaC12H14N2O3
IUPAC name(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
InChI IdentifierInChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1
Isomeric SMILESCOC1=CC2=C(NC=C2C[C@H](N)C(O)=O)C=C1
Average Molecular Weight234.2512
Monoisotopic Molecular Weight234.100442324
Chemical Taxonomy
Description Belongs to the class of organic compounds known as serotonins. Serotonins are compounds containing a serotonin moiety, which consists of an indole that bears an aminoethyl a position 2 and a hydroxyl group at position 5.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassTryptamines and derivatives
Direct ParentSerotonins
Alternative Parents
  • Serotonin
  • Indolyl carboxylic acid derivative
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • 3-alkylindole
  • Indole
  • Anisole
  • Alkyl aryl ether
  • Aralkylamine
  • Benzenoid
  • Substituted pyrrole
  • Heteroaromatic compound
  • Pyrrole
  • Amino acid or derivatives
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Ether
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Primary amine
  • Primary aliphatic amine
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 200 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez
Commercial Vendors
Not Available