Coffee purines
precursor
Showing entry for Coffee purines
Identification
- PhytoHub ID
- PHUB002594
- Name
- Coffee 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 | |||
|---|---|---|---|---|
| Green/roasted coffee | Coffee and coffee 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Coffee purines | Theophylline | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C7H8N4O2 | 180.064725514 | Detailed Intervention Studies | |||
| Coffee purines | 1-methylxanthine | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C6H6N4O2 | 166.049075449 | Detailed Intervention Studies | |||
| Coffee purines | Paraxanthine | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C7H8N4O2 | 180.064725514 | Detailed Intervention Studies | |||
| Coffee purines | 1-methyluric acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C6H6N4O3 | 182.043990069 | Detailed Intervention Studies | |||
| Coffee purines | 1,7-dimethyluricacid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C7H8N4O3 | 196.059640134 | Detailed Intervention Studies | |||
| Coffee purines | 7-methylxanthine | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C6H6N4O2 | 166.049075449 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|