Identification

PhytoHub ID
PHUB002325
Name
N-caproylhistamine
Systematic Name
Not Available
Synonyms
  • HmC6
CAS Number
Not Available
Average Mass
209.293
Monoisotopic Mass
209.152812244
Chemical Formula
C11H19N3O
IUPAC Name
N-[2-(1H-imidazol-4-yl)ethyl]hexanamide
InChI Key
POWCEFXIBWGZIW-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C11H19N3O/c1-2-3-4-5-11(15)13-7-6-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15)
SMILES
CCCCCC(=O)NCCC1=CNC=N1
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
7
Polar Surface Area
57.78
Refractivity
59.537099999999995
Polarizability
24.500258206933566
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
6.55001470897996
pKa (strongest acidic)
13.101243954578665
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

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

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Fatty Acyls
Super-class
Lipids and lipid-like molecules
Sub-class
Fatty amides
Direct Parent Name
N-acyl amines
Alternative Parent Names
["Azacyclic compounds", "Carbonyl compounds", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Imidazoles", "Organic oxides", "Organonitrogen compounds", "Secondary carboxylic acid amides"]
External Descriptor Annotations
Not Available
Substituent Names
["Aromatic heteromonocyclic compound", "Azacycle", "Azole", "Carbonyl group", "Carboxamide group", "Carboxylic acid derivative", "Heteroaromatic compound", "Hydrocarbon derivative", "Imidazole", "N-acyl-amine", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Secondary carboxylic acid amide"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
TomatoVegetables, Fruit vegetables PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
N-caproylhistamine N-caproylhistamine glucuronidehumanurinehost metabolismNot AvailableNot AvailableNot Available Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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