Cocoa purines
precursor
Showing entry for Cocoa purines
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
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Purines and pyrimidines
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cocoa | Cocoa and cocoa products | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cocoa purines | Theophylline | human | plasma | unchanged | 1h-3h | 5-20µmol/L | Not Available | C7H8N4O2 | 180.064725514 | Detailed Intervention Studies | Publications | ||
| Cocoa purines | 1-methylxanthine | human | plasma | host metabolism | <1h | 0.5-2µmol/L | Not Available | C6H6N4O2 | 166.049075449 | Publications | |||
| Cocoa purines | Paraxanthine | human | plasma | unchanged | 3h-5h | 5-20µmol/L | Not Available | C7H8N4O2 | 180.064725514 | Publications | |||
| Cocoa purines | 1-methyluric acid | human | plasma | host metabolism | 5h-8h | 0.5-2µmol/L | Not Available | C6H6N4O3 | 182.043990069 | Publications | |||
| Cocoa purines | 1,7-dimethyluricacid | human | plasma | host metabolism | 5h-8h | 50-200 nmol/L | Not Available | C7H8N4O3 | 196.059640134 | Publications | |||
| Cocoa purines | 3-methylxanthine | human | plasma | host metabolism | 1h-3h | 0.5-2µmol/L | Not Available | C6H6N4O2 | 166.049075449 | Detailed Intervention Studies | Publications | ||
| Cocoa purines | 7-methylxanthine | human | plasma | host metabolism | 3h-5h | 2-5µmol/L | Not Available | C6H6N4O2 | 166.049075449 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Cocoa purines | 1-methylxanthine | Age | No effect | Publications | ||
| Cocoa purines | Paraxanthine | Age | No effect | Publications | ||
| Cocoa purines | 7-methylxanthine | Smoking | No effect | Publications |