Record Information
Version1.0
Creation date2010-04-08 22:10:01 UTC
Update date2019-11-26 03:06:17 UTC
Primary IDFDB012158
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSerotonin
DescriptionIsolated from bananas and other fruitsand is also from cotton (Gossypium hirsutum) [DFC]. Serotonin is found in many foods, some of which are common pea, eggplant, swiss chard, and dill.
CAS Number50-67-9
Structure
Thumb
Synonyms
SynonymSource
3-(2-Aminoethyl)-1H-indol-5-olChEBI
3-(2-Aminoethyl)-1H-indol-5-ol, 9CIdb_source
3-(2-Aminoethyl)-5-hydroxyindoledb_source
3-(2-Aminoethyl)indol-5-olHMDB
3-(b-Aminoethyl)-5-hydroxyindoleHMDB
5-HTChEBI
5-HTAHMDB
5-Hydroxy-3-(b-aminoethyl)indoleHMDB
5-Hydroxy-tryptamineHMDB
5-HydroxyltryptamineHMDB
5-HydroxytriptamineHMDB
5HTdb_source
AntemovisHMDB
Anthemovisterdb_source
DS substanceHMDB
EnteraminHMDB
Enteraminedb_source
Hippophainedb_source
Serotonindb_source
SerotonineChEBI
Thrombocytindb_source
Thrombotonindb_source
Predicted PropertiesNot Available
Chemical FormulaC10H12N2O
IUPAC name
InChI IdentifierInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChI KeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
Isomeric SMILESNCCC1=CNC2=CC=C(O)C=C12
Average Molecular Weight176.2151
Monoisotopic Molecular Weight176.094963016
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 68.16%; H 6.86%; N 15.90%; O 9.08%DFC
Melting Point167.5 oC
Boiling PointNot Available
Experimental Water Solubility20 mg/mL at 27 oCHORN,AS (1981)
Experimental logP0.21HANSCH,C ET AL. (1995)
Experimental pKapKa3 15 (20°)DFC
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 ID5013
ChEMBL IDCHEMBL39
KEGG Compound IDC00780
Pubchem Compound ID5202
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00259
CRC / DFC (Dictionary of Food Compounds) IDHDV23-B:HDV23-B
EAFUS IDNot Available
Dr. Duke IDHIPPOPHAIN|HIPPOPHAINUM|5-HYDROXYTRYPTAMINE|SEROTONIN|SEROTIN
BIGG ID35982
KNApSAcK IDC00001429
HET IDSRO
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 / Bioactivities
DescriptorIDDefinitionReference
abortifacient50691 A chemical substance that interrupts pregnancy after implantation.DUKE
allergenic50904 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.DUKE
analgesic35480 An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.DUKE
anti aggregantDUKE
anti Alzheimeran52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti cholinesterase37733 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).DUKE
anti convulsant52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti depressant52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
antidote50247 Any protective agent counteracting or neutralizing the action of poisons.DUKE
anti endotoxic50247 Any protective agent counteracting or neutralizing the action of poisons.DUKE
anti gastricDUKE
anti gastrisecretogogicDUKE
anti mutilationDUKE
anti Parkinsonian48407 A drug used in the treatment of Parkinson's disease.DUKE
anti predatoryDUKE
anti reserpineDUKE
anti scoliotic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti Tourette's52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
bronchoconstrictor50141 A drug which causes a narrowing of the lumen of a bronchus or bronchiole.DUKE
cancer preventive35610 A substance that inhibits or prevents the proliferation of neoplasms.DUKE
cardiovascular38070 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.DUKE
cerebrophilicDUKE
coagulantDUKE
euphoriantDUKE
hypertensiveDUKE
insecticide24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.DUKE
myorelaxantDUKE
myostimulantDUKE
neurotransmitter25512 An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.DUKE
oxytocic36063 A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients).DUKE
pesticide25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
secretogogueDUKE
spasmogenicDUKE
succinic-dehydrogenase inhibitor23924 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.DUKE
teratogenic50905 A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.DUKE
ulcerogenicDUKE
vasoactiveDUKE
vasoconstrictor50514 Drug used to cause constriction of the blood vessels.DUKE
Enzymes
NameGene NameUniProt ID
Aromatic-L-amino-acid decarboxylaseDDCP20711
Serotonin N-acetyltransferaseAANATQ16613
5-hydroxytryptamine receptor 7HTR7P34969
5-hydroxytryptamine receptor 1BHTR1BP28222
5-hydroxytryptamine receptor 1AHTR1AP08908
5-hydroxytryptamine receptor 3AHTR3AP46098
5-hydroxytryptamine receptor 1DHTR1DP28221
5-hydroxytryptamine receptor 4HTR4Q13639
5-hydroxytryptamine receptor 1FHTR1FP30939
Pathways
NameSMPDB LinkKEGG Link
Tryptophan MetabolismSMP00063 map00380
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).