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Showing Compound Serotonin (FDB012158)

Record Information
Version1.0
Creation date2010-04-08 22:10:01 UTC
Update date2025-11-18 23:34:25 UTC
Primary IDFDB012158
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSerotonin
DescriptionSerotonin, also known as enteramine or 5-HT, 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. Serotonin is a very strong basic compound (based on its pKa). Serotonin exists in all living organisms, ranging from bacteria to humans. Serotonin is found, on average, in the highest concentration within a few different foods, such as sea-buckthornberries, common walnuts, and oats and in a lower concentration in green beans, red bell peppers, and swiss chards. Serotonin has also been detected, but not quantified in, several different foods, such as grapes, cocoa beans, pepper (c. frutescens), avocado, and common pea. This could make serotonin a potential biomarker for the consumption of these foods. Serotonin, with regard to humans, has been found to be associated with several diseases such as eosinophilic esophagitis, schizophrenia, parkinson's disease, and hypothyroidism; serotonin has also been linked to the inborn metabolic disorder aromatic l-amino acid decarboxylase deficiency.
CAS Number50-67-9
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
3-(2-Aminoethyl)-1H-indol-5-olChEBI
5-HTChEBI
5-HydroxytryptamineChEBI
EnteramineChEBI
SerotonineChEBI
ThrombocytinChEBI
ThrombotoninChEBI
HippophaineHMDB
HydroxytryptamineHMDB
5 HydroxytryptamineHMDB
3-(2-Aminoethyl)indol-5-olHMDB
3-(b-Aminoethyl)-5-hydroxyindoleHMDB
5-HTAHMDB
5-Hydroxy-3-(b-aminoethyl)indoleHMDB
5-Hydroxy-tryptamineHMDB
5-HydroxyltryptamineHMDB
5-HydroxytriptamineHMDB
AntemovisHMDB
DS SubstanceHMDB
EnteraminHMDB
3-(2-Aminoethyl)-1H-indol-5-ol, 9CIdb_source
3-(2-Aminoethyl)-5-hydroxyindoledb_source
5HTdb_source
Anthemovisterdb_source
DS substanceHMDB
Serotonindb_source
Predicted Properties
PropertyValueSource
Water Solubility2.5 g/LALOGPS
logP0.56ALOGPS
logP0.48ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)9.31ChemAxon
pKa (Strongest Basic)10ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area62.04 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity52.35 m³·mol⁻¹ChemAxon
Polarizability19.31 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC10H12N2O
IUPAC name3-(2-aminoethyl)-1H-indol-5-ol
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
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
Substituents
  • Serotonin
  • 3-alkylindole
  • Hydroxyindole
  • Indole
  • 2-arylethylamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Substituted pyrrole
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Azacycle
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Physico-Chemical Properties
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-MS
TypeDescriptionSplash KeyView
GC-MSSerotonin, 5 TMS, GC-MS Spectrumsplash10-00di-1900000000-461c2a1f67418e6b5d6aSpectrum
GC-MSSerotonin, 5 TMS, GC-MS Spectrumsplash10-00di-1900000000-2286e87324e9f4a78cb4Spectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-1900000000-927b865023cbba872101Spectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-1910000000-02c17b4cd3336a8bf9b1Spectrum
GC-MSSerotonin, 5 TMS, GC-MS Spectrumsplash10-00di-8900000000-4b838943ace80c8b7734Spectrum
GC-MSSerotonin, 5 TMS, GC-MS Spectrumsplash10-00di-6900000000-a7dd5c569cf4d085d244Spectrum
GC-MSSerotonin, 4 TMS, GC-MS Spectrumsplash10-00di-0900000000-2346e553f96cb980c8fcSpectrum
GC-MSSerotonin, 3 TMS, GC-MS Spectrumsplash10-00di-1900000000-01fbd5196188d4e0f21cSpectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-0002-9800000000-9ce9fb2286c3b7ea7719Spectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-1900000000-461c2a1f67418e6b5d6aSpectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-1900000000-2286e87324e9f4a78cb4Spectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-1900000000-927b865023cbba872101Spectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-1910000000-02c17b4cd3336a8bf9b1Spectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-8900000000-4b838943ace80c8b7734Spectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-6900000000-a7dd5c569cf4d085d244Spectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-0900000000-2346e553f96cb980c8fcSpectrum
GC-MSSerotonin, non-derivatized, GC-MS Spectrumsplash10-00di-1900000000-01fbd5196188d4e0f21cSpectrum
Predicted GC-MSSerotonin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-001j-6900000000-95a89ff8a3b12e7e8e25Spectrum
Predicted GC-MSSerotonin, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-001i-9450000000-52e0b628b7795c643362Spectrum
Predicted GC-MSSerotonin, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSSerotonin, TMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSSerotonin, TMS_1_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSSerotonin, TBDMS_1_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSSerotonin, TBDMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSSerotonin, TBDMS_1_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-0a4i-0900000000-6acaf73bcd452e24b8862012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-0aor-0900000000-259227b20b82e63620592012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-02e9-5900000000-2f58fbed2705231821582012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - EI-B (HITACHI M-80) , Positivesplash10-0002-9800000000-abcd0769bb17d07b3e382012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positivesplash10-03di-0900000000-bf65d809200ea387ebf52012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positivesplash10-03di-0900000000-8a171ac4fdc0474f7f482012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positivesplash10-03xr-0900000000-a0b7d8a671909c6f4ad12012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positivesplash10-014i-1900000000-fa80d05236eabbafd6782012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positivesplash10-014i-4900000000-4e2e322d56fc9ee00edd2012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positivesplash10-004i-0900000000-c79f0b03a8dc1da0a10a2012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Positivesplash10-03fr-0900000000-9cb056cd56bae76589d02012-08-31View Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-03di-1900000000-d64210214a1b3766ff6e2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-03di-0900000000-08840bc938c367dacbb22017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-03yi-0900000000-858936972fd87c0c0b142017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0159-4900000000-a8fc7dff385a4f51b88a2017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-00p0-9400000000-7e4063d2b516ae59df842017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03di-0900000000-bf65d809200ea387ebf52017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03di-0900000000-8a171ac4fdc0474f7f482017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03xr-0900000000-a0b7d8a671909c6f4ad12017-09-14View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01t9-0900000000-a4e556450f24165aed152017-06-28View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-657c360c251ec5745d1f2017-06-28View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01qc-2900000000-397a6873ea727da9cc8f2017-06-28View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-253552852dde8abefca02017-06-28View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-5dd492dfc2d781e722542017-06-28View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-053r-1900000000-bed3bfffbc9cca5062812017-06-28View Spectrum
NMR
TypeDescriptionView
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Spectrum
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 IDSerotonin
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 An agent that induces abortion, disrupting pregnancy by blocking progesterone or causing uterine contractions. Therapeutically, it's used to terminate early pregnancies, manage ectopic pregnancies, or treat miscarriages. Key medical uses include medical abortion, pregnancy termination, and menstrual regulation.DUKE
Allergenic50904 A substance that triggers an immune response, causing allergic reactions. Its biological role is to stimulate the immune system, but it has no therapeutic applications. Key medical uses include diagnosing allergies and developing immunotherapies to desensitize patients to specific allergens, reducing the risk of severe reactions.DUKE
Analgesic35480 An agent that relieves pain by reducing or blocking pain signals in the brain, commonly used to manage acute or chronic pain, inflammation, and fever, with therapeutic applications in surgery, injury, and disease treatment.DUKE
Anti-aggregantAn agent that prevents platelet aggregation, reducing blood clot formation. Its biological role is to inhibit platelet activation, and its therapeutic applications include preventing thrombosis and stroke. Key medical uses include treating cardiovascular diseases, such as myocardial infarction and atrial fibrillation, and managing conditions that increase the risk of blood clots.DUKE
Anti-Alzheimeran52217 An agent that inhibits the progression of Alzheimer's disease, reducing beta-amyloid plaque formation and neuroinflammation. Therapeutically, it improves cognitive function and memory, commonly used in managing mild to moderate Alzheimer's disease and other neurodegenerative disorders.DUKE
Anti cholinesterase37733 An agent that inhibits acetylcholinesterase, increasing acetylcholine levels, and enhancing cholinergic transmission. Therapeutically, it's used to treat myasthenia gravis, glaucoma, and Alzheimer's disease, improving muscle strength, reducing eye pressure, and enhancing cognitive function.DUKE
Anti convulsant52217 An agent that reduces or prevents seizures, commonly used in managing epilepsy, neuropathic pain, and mood disorders, by stabilizing abnormal electrical activity in the brain.DUKE
Anti depressant52217 An agent that regulates mood, reducing symptoms of depression and anxiety by altering neurotransmitter levels in the brain, commonly used in managing depression, anxiety disorders, and other mood disorders.DUKE
Antidote50247 An agent that counteracts a poison or toxin, neutralizing its harmful effects. It plays a biological role in reversing toxicity, and has therapeutic applications in treating poisoning, overdose, and envenomation. Key medical uses include emergency treatment for snake bites, drug overdose, and chemical exposure.DUKE
Anti endotoxic50247 An agent that neutralizes or mitigates the effects of endotoxins, reducing inflammation and septic shock. Therapeutically, it is used to treat conditions such as sepsis, meningitis, and other endotoxin-mediated diseases, promoting immune system balance and preventing tissue damage.DUKE
Anti-gastricAn antibody targeting gastric parietal cells, linked to autoimmune gastritis and pernicious anemia, used to diagnose and manage these conditions, helping to reduce stomach inflammation and improve nutrient absorption.DUKE
Anti gastrisecretogogicAn agent that inhibits gastric acid secretion, reducing stomach acidity. Its biological role is to regulate digestive processes. Therapeutically, it's used to treat conditions like gastroesophageal reflux disease (GERD), peptic ulcers, and Zollinger-Ellison syndrome, providing relief from heartburn, bloating, and abdominal pain.DUKE
Anti-mutilationAn agent that prevents or reduces self-mutilation behaviors, commonly used in managing mental health disorders such as borderline personality disorder, autism, and schizophrenia, to reduce harm and improve patient well-being.DUKE
Anti-Parkinsonian48407 An agent that alleviates symptoms of Parkinson's disease, enhancing dopamine levels and improving motor function, commonly used to manage tremors, rigidity, and bradykinesia in neurodegenerative disorders.DUKE
Anti-predatoryA defense mechanism that prevents or deters predation, playing a biological role in survival. Therapeutically, it has applications in reducing stress and anxiety in prey animals. Key medical uses include animal welfare and conservation, where anti-predatory measures can help protect endangered species from predators.DUKE
Anti-reserpineAn agent that counteracts the effects of reserpine, increasing neurotransmitter levels. Therapeutically, it's used to manage reserpine-induced side effects, such as depression, and has applications in treating Parkinson's disease, schizophrenia, and other neurological disorders.DUKE
Anti-scoliotic52217 An agent that prevents or reduces the progression of scoliosis, a lateral curvature of the spine. It plays a biological role in maintaining spinal alignment and stability. Therapeutically, it is used to manage scoliosis, particularly in children and adolescents, to prevent deformity and promote proper spinal growth, reducing the need for surgical intervention.DUKE
Anti-Tourette's52217 An agent that reduces tic symptoms, commonly used in managing Tourette's syndrome, with a biological role in regulating neurotransmitter imbalance, and therapeutic applications in reducing involuntary movements and vocalizations, with key medical uses including treatment of tic disorders and associated conditions.DUKE
Bronchoconstrictor50141 An agent that narrows airway passages, used therapeutically to diagnose asthma or chronic obstructive pulmonary disease (COPD), and medically to treat conditions such as post-operative bronchospasm, or to reverse excessive bronchodilation.DUKE
Cancer preventive35610 An agent that inhibits the development and progression of cancer, reducing tumor formation and growth. It plays a biological role in blocking carcinogenic pathways, and has therapeutic applications in chemoprevention. Key medical uses include reducing the risk of cancer in high-risk individuals and preventing cancer recurrence.DUKE
Cardiovascular38070 A system that transports blood, oxygen, and nutrients throughout the body, playing a crucial role in overall health. Therapeutically, cardiovascular agents manage conditions like hypertension, heart failure, and atherosclerosis, with key medical uses including regulating blood pressure, preventing blood clots, and improving cardiac function.DUKE
CerebrophilicA compound with high affinity for the brain, crossing the blood-brain barrier easily. Its biological role involves neuroprotection and neurotransmitter modulation. Therapeutically, it has applications in neurodegenerative diseases, such as Alzheimer's and Parkinson's. Key medical uses include treating cognitive impairment, neuroinflammation, and mood disorders, making it a potential agent for improving brain health and function.DUKE
CoagulantAn agent that causes blood or another liquid to coagulate, playing a crucial biological role in wound healing and hemostasis. Therapeutically, coagulants are used to treat bleeding disorders, such as hemophilia, and to prevent excessive bleeding during surgery, with key medical uses including trauma treatment and transfusion medicine.DUKE
EuphoriantAn agent that produces a feeling of euphoria, often used therapeutically to manage mood disorders, such as depression, and anxiety. It plays a biological role in stimulating the brain's reward system, releasing dopamine and endorphins. Key medical uses include treating addiction, chronic pain, and mental health conditions, promoting relaxation and well-being.DUKE
HypertensiveAn agent that increases blood pressure, used therapeutically to treat hypotension (low blood pressure) and shock, and medically to manage conditions such as orthostatic hypotension and postural hypotension.DUKE
Insecticide24852 An agent that kills or repels insects, used to control pests and prevent disease transmission. Therapeutically, insecticides have applications in public health and veterinary medicine, key medical uses include controlling insect-borne diseases such as malaria, typhus, and Lyme disease.DUKE
MyorelaxantAn agent that reduces muscle contractility by blocking nerve impulses or decreasing motor end plate excitability, used therapeutically to relieve muscle spasms, tension, and pain, commonly in managing musculoskeletal disorders, anxiety, and insomnia.DUKE
MyostimulantAn agent that stimulates an increase in the rhythm and amplitude of smooth muscle movement, playing a biological role in enhancing muscle contraction. Therapeutically, it is used to treat gastrointestinal disorders, such as constipation, and other conditions characterized by reduced muscle activity, like urinary retention.DUKE
Neurotransmitter25512 A chemical messenger that transmits signals between neurons, regulating various physiological and psychological processes. Therapeutically, neurotransmitter modulators are used to treat conditions such as depression, anxiety, and Parkinson's disease, by altering neurotransmitter levels or activity to restore balance and alleviate symptoms.DUKE
Oxytocic36063 A hormone that stimulates uterine contractions, playing a key role in childbirth and lactation. Therapeutically, it induces labor, controls postpartum bleeding, and promotes milk letdown. Medical uses include augmenting labor, treating postpartum hemorrhage, and assisting with breastfeeding.DUKE
Pesticide25944 An agent that kills or repels pests, playing a biological role in controlling insect, weed, and fungal populations. Therapeutically, pesticides have limited applications, but some are used to treat ectoparasitic infestations, such as lice and scabies. Key medical uses include topical treatments for head lice and scabies, highlighting their role in managing parasitic infections.DUKE
SecretogogueA substance that stimulates secretion, playing a biological role in regulating hormone and enzyme release. Therapeutically, it has applications in treating conditions like hyposecretion and is used to manage digestive issues, respiratory problems, and endocrine disorders, promoting healthy secretion in various bodily systems.DUKE
SpasmogenicAn agent that induces spasms, causing sudden involuntary muscular contractions. It plays a biological role in stimulating muscle activity. Therapeutically, it has applications in diagnosing and treating muscle disorders. Key medical uses include assessing muscle function and treating conditions like muscle atrophy, with potential applications in physical therapy and rehabilitation.DUKE
Succinic-dehydrogenase inhibitor23924 An agent that blocks the activity of succinic dehydrogenase, an enzyme in the citric acid cycle. It has therapeutic applications in managing cancer, infectious diseases, and neurological disorders, with key medical uses including anti-cancer and anti-parasitic treatments.DUKE
Teratogenic50905 An agent that causes abnormal fetal development, disrupting embryonic growth and leading to birth defects. Its biological role is associated with developmental toxicity, and it has no therapeutic applications. Key medical uses include serving as a warning for substances that pose risks during pregnancy, guiding prenatal care and medication management to prevent birth defects.DUKE
UlcerogenicAn agent that causes the production of ulcers, often used to study gastrointestinal disease mechanisms. Its biological role involves disrupting mucosal defense, leading to ulcer formation. Therapeutically, understanding ulcerogenic agents informs the development of anti-ulcer medications. Key medical uses include researching gastric ulcer pathogenesis and testing potential treatments for ulcer prevention and healing.DUKE
VasoactiveAn agent that affects blood vessel diameter, regulating blood pressure and flow. It plays a biological role in maintaining cardiovascular homeostasis. Therapeutically, vasoactive agents are used to treat conditions like hypertension, heart failure, and shock, and have applications in managing bleeding and perfusion during surgery.DUKE
Vasoconstrictor50514 An agent that narrows blood vessels, reducing blood flow. It plays a biological role in regulating blood pressure and is therapeutically used to treat conditions like hypotension, nasal congestion, and bleeding. Key medical uses include managing shock, reducing bleeding during surgery, and relieving migraine headaches.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).