precursor

Showing entry for Tyramine

Identification

PhytoHub ID
PHUB000788
Name
Tyramine
Systematic Name
Not Available
Synonyms
  • 4-Hydroxyphenethylamine
  • Tyrosamine
CAS Number
Not Available
Average Mass
137.182
Monoisotopic Mass
137.084063978
Chemical Formula
C8H11NO
IUPAC Name
4-(2-aminoethyl)phenol
InChI Key
DZGWFCGJZKJUFP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
SMILES
NCCC1=CC=C(O)C=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
5.72e+00 g/l
LogS (ALOGPS)
-1.38
LogP (ALOGPS)
-0.14
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
46.25
Refractivity
41.2673
Polarizability
15.31617842772787
Formal Charge
0
Physiological Charge
1
pKa (strongest basic)
9.663317955732815
pKa (strongest acidic)
10.410817992116419
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Amines
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Benzene and substituted derivatives
Super-class
Benzenoids
Sub-class
Phenethylamines
Direct Parent Name
Phenethylamines
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "2-arylethylamines", "Aralkylamines", "Hydrocarbon derivatives", "Monoalkylamines", "Organooxygen compounds", "Organopnictogen compounds"]
External Descriptor Annotations
["Biogenic amines", "Tyramine derivatives", "monoamine molecular messenger", "primary amino compound", "tyramines"]
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "2-arylethylamine", "Amine", "Aralkylamine", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenethylamine", "Phenol", "Primary aliphatic amine", "Primary amine"]

Spectra from Online Resources

Record IDSourceDescriptionView
AU510501MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
AU510502MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
AU510503MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
CE000015MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
CE000016MassBankLC-ESI-ITFT Spectrum - 45eV, unspecifiedView Spectra
CE000017MassBankLC-ESI-ITFT Spectrum - 55eV, unspecifiedView Spectra
CE000018MassBankLC-ESI-ITFT Spectrum - 70eV, unspecifiedView Spectra
CE000019MassBankLC-ESI-ITFT Spectrum - -, unspecifiedView Spectra
CO000231MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
CO000232MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
CO000233MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
CO000234MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
CO000235MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
GLS00100MassBankEI-B Spectrum - -, unspecifiedView Spectra
JP002813MassBankEI-B Spectrum - -, [M]+*View Spectra
KNA00081MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KNA00082MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KNA00083MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KNA00084MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KNA00324MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KNA00325MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KNA00326MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KNA00327MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KO004082MassBankLC-ESI-QQ Spectrum - 10 V, unspecifiedView Spectra
KO004083MassBankLC-ESI-QQ Spectrum - 20 V, unspecifiedView Spectra
KO004084MassBankLC-ESI-QQ Spectrum - 30 V, unspecifiedView Spectra
KO004085MassBankLC-ESI-QQ Spectrum - 40 V, unspecifiedView Spectra
KO004086MassBankLC-ESI-QQ Spectrum - 50 V, unspecifiedView Spectra
KZ000078MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
OUF00480MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PB000473MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB000474MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
PB000475MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
PB000476MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
PB000477MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
PB006085MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
PB006101MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB006102MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
PR010240MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR100210MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS036401ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS036402ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS036403ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS036404ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS036405ReSpectN/A Spectrum - 50, [M+H]+View Spectra
PS036406ReSpectN/A Spectrum - 60, [M+H]+View Spectra

Food Sources

NameGroup
BarleyCereals and cereal products PublicationsShow
Cherry tomatoVegetables, Fruit vegetables PublicationsShow
Chinese cabbageVegetables, Cabbages PublicationsShow
Hot chili (Capsicum annuum, C. frutescens)Vegetables, Fruit vegetables PublicationsShow
PaprikaHerbs and Spices PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow
StrawberryFruit, Berries PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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