7-methyluric acid
Showing entry for 7-methyluric acid
Identification
- PhytoHub ID
- PHUB002538
- Name
- 7-methyluric acid
- Systematic Name
- 7-methyluricacid
- Synonyms
- 7-Methylate
- 7-Methylic acid
- CAS Number
- Not Available
- Average Mass
- 182.139
- Monoisotopic Mass
- 182.043990069
- Chemical Formula
- C6H6N4O3
- IUPAC Name
- Not Available
- InChI Key
- YHNNPKUFPWLTOP-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)
- SMILES
CN1C(=O)NC2=C1C(=O)NC(=O)N2
- Structure
Structure for 7-methyluric acid
Calculated Properties
- Solubility (ALOGPS)
- 3.71e+00 g/l
- LogS (ALOGPS)
- -1.69
- LogP (ALOGPS)
- -1.03
- 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
- HMDB
- HMDB0011107
- FooDB (Compounds)
- FDB027890
- PubChem
- 69160
- KEGG
- C16355
Taxonomy as Metabolite
- Family
- N-containing compound metabolites
- Class
- Alkaloid metabolites
- Sub-class
- Purines and pyrimidines (parent, host and microbial metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Caffeine | N-containing compounds | Alkaloids | Purines and pyrimidines | Show Food Phytochemical |
| Cocoa purines | N-containing compounds | Alkaloids | Purines and pyrimidines | Show Food Phytochemical |
| Theobromine | N-containing compounds | Alkaloids | Purines and pyrimidines | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found