Serotonin
precursor
Showing entry for Serotonin
Identification
- PhytoHub ID
- PHUB000782
- Name
- Serotonin
- Systematic Name
- Not Available
- Synonyms
- 5-HT
- 5-Hydroxytryptamine
- Serotonine
- CAS Number
- Not Available
- Average Mass
- 176.219
- Monoisotopic Mass
- 176.094963014
- Chemical Formula
- C10H12N2O
- IUPAC Name
- 3-(2-aminoethyl)-1H-indol-5-ol
- InChI Key
- QZAYGJVTTNCVMB-UHFFFAOYSA-N
- InChI Identifier
InChI=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
- SMILES
NCCC1=CNC2=C1C=C(O)C=C2
- Structure
Structure for Serotonin
Calculated Properties
- Solubility (ALOGPS)
- 2.50e+00 g/l
- LogS (ALOGPS)
- -1.85
- LogP (ALOGPS)
- 0.56
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 62.03999999999999
- Refractivity
- 52.3538
- Polarizability
- 19.312204645691768
- Formal Charge
- 0
- Physiological Charge
- 1
- pKa (strongest basic)
- 10.004289627293197
- pKa (strongest acidic)
- 9.314034178077875
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 28790
- PubChem
- 5202
- Chemistry Dashboard
- DTXSID8075330
- KNApSAcK
- C00001429
- MetaboLights
- MTBLC28790
- FooDB (Compounds)
- FDB012158
- PeakForestCompound
- 000607
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Amines
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Indoles and derivatives
- Super-class
- Organoheterocyclic compounds
- Sub-class
- Tryptamines and derivatives
- Direct Parent Name
- Serotonins
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "2-arylethylamines", "3-alkylindoles", "Aralkylamines", "Azacyclic compounds", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyindoles", "Monoalkylamines", "Organooxygen compounds", "Organopnictogen compounds", "Substituted pyrroles"]
- External Descriptor Annotations
- ["Biogenic amines", "Indole alkaloids", "monoamine molecular messenger", "phenols", "primary amino compound", "tryptamines"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "2-arylethylamine", "3-alkylindole", "Amine", "Aralkylamine", "Aromatic heteropolycyclic compound", "Azacycle", "Benzenoid", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyindole", "Indole", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine", "Pyrrole", "Serotonin", "Substituted pyrrole"]
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found