Identification

PhytoHub ID
PHUB002593
Name
Cocoa purines
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
Not Available
Monoisotopic Mass
Not Available
Chemical Formula
Not Available
IUPAC Name
Not Available
InChI Key
Not Available
InChI Identifier
Not Available
SMILES
Not Available
Structure
No structure

Calculated Properties

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

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Alkaloids
Sub-class
Purine and pyrimidine alkaloids

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
CocoaCocoa and cocoa products PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Cocoa purines CaffeineNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC8H10N4O2194.080375578 Detailed Intervention Studies
Cocoa purines TheophyllineNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC7H8N4O2180.064725514 Detailed Intervention Studies
Cocoa purines 1-methyluric acidhumanplasmahost metabolism5h-8h0.5-2µmol/LNot AvailableC6H6N4O3182.043990069 Publications
Cocoa purines 7-methylxanthinehumanplasmahost metabolism3h-5h0.5-2µmol/LNot AvailableC6H6N4O2166.049075449 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Cocoa purines 7-methylxanthineMicrobiotaNo effect Publications
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