Tryptamine
precursor
Showing entry for Tryptamine
Identification
- PhytoHub ID
- PHUB000787
- Name
- Tryptamine
- Systematic Name
- Not Available
- Synonyms
- 3-(2-Aminoethyl)indole
- CAS Number
- Not Available
- Average Mass
- 160.22
- Monoisotopic Mass
- 160.100048394
- Chemical Formula
- C10H12N2
- IUPAC Name
- 2-(1H-indol-3-yl)ethan-1-amine
- InChI Key
- APJYDQYYACXCRM-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
- SMILES
NCCC1=CNC2=C1C=CC=C2
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.34e+00 g/l
- LogS (ALOGPS)
- -2.08
- LogP (ALOGPS)
- 1.21
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 41.81
- Refractivity
- 50.37290000000001
- Polarizability
- 18.334668849889468
- Formal Charge
- 0
- Physiological Charge
- 1
- pKa (strongest basic)
- 9.733973681017083
- pKa (strongest acidic)
- 17.170311785836876
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 16765
- PubChem
- 1150
- Chemistry Dashboard
- DTXSID2075340
- KNApSAcK
- C00001434
- MetaboLights
- MTBLC16765
- FooDB (Compounds)
- FDB000917
- PeakForestCompound
- 000612
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
- Tryptamines and derivatives
- Alternative Parent Names
- ["2-arylethylamines", "3-alkylindoles", "Aralkylamines", "Azacyclic compounds", "Benzenoids", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Monoalkylamines", "Organopnictogen compounds", "Substituted pyrroles"]
- External Descriptor Annotations
- ["Indole alkaloids", "aminoalkylindole", "aralkylamino compound", "indole alkaloid", "tryptamines"]
- Substituent Names
- ["2-arylethylamine", "3-alkylindole", "Amine", "Aralkylamine", "Aromatic heteropolycyclic compound", "Azacycle", "Benzenoid", "Heteroaromatic compound", "Hydrocarbon derivative", "Indole", "Organic nitrogen compound", "Organonitrogen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine", "Pyrrole", "Substituted pyrrole", "Tryptamine"]
Spectra from Online Resources
Record ID | Source | Description | View |
---|---|---|---|
GLS00090 | MassBank | EI-B Spectrum - -, unspecified | View Spectra |
JP002028 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
KO004142 | MassBank | LC-ESI-QQ Spectrum - 10 V, unspecified | View Spectra |
KO004143 | MassBank | LC-ESI-QQ Spectrum - 20 V, unspecified | View Spectra |
KO004144 | MassBank | LC-ESI-QQ Spectrum - 30 V, unspecified | View Spectra |
KO004145 | MassBank | LC-ESI-QQ Spectrum - 40 V, unspecified | View Spectra |
KO004146 | MassBank | LC-ESI-QQ Spectrum - 50 V, unspecified | View Spectra |
KZ000271 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
KZ000272 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
OUF00478 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PR010102 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PR010103 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PS006901 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS006902 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS006903 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS006904 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
WA002432 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
WA002433 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
WA002434 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
WA002435 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
WA002436 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Cherry tomato | Vegetables, Fruit vegetables | Publications | Show | |
Chinese cabbage | Vegetables, Cabbages | Publications | Show | |
Corn | Cereals and cereal products | Publications | Show | |
Cucumber | Vegetables, Gourds | Publications | Show | |
Hot chili (Capsicum annuum, C. frutescens) | Vegetables, Fruit vegetables | Publications | Show | |
Kiwi | Fruit, Tropical fruits | Publications | Show | |
Kohlrabi | Vegetables, Root vegetables | Publications | Show | |
Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
Potato | Vegetables, Tubers | Publications | Show | |
Strawberry | Fruit, Berries | Publications | Show | |
Swede (Rutabaga) | Vegetables, Root vegetables | Publications | Show | |
Tomato | Vegetables, Fruit vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Broccoli and mustard glucosinolates | Tryptamine | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C10H12N2 | 160.100048394 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
---|