2-Hydroxylimonene-1-glucuronide
Showing entry for 2-Hydroxylimonene-1-glucuronide
Identification
- PhytoHub ID
- PHUB002620
- Name
- 2-Hydroxylimonene-1-glucuronide
- Systematic Name
- p-menth-8-en-2-ol-1-glucuronide
- Synonyms
- Limonene-1,2-diol glucuronide
- p-menth-8-en-1,2-diol glucuronide
- CAS Number
- Not Available
- Average Mass
- 346.376
- Monoisotopic Mass
- 346.162767797
- Chemical Formula
- C16H26O8
- IUPAC Name
- 3,4,5-trihydroxy-6-{[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
- InChI Key
- LFYWFNNHNASMER-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H28O8/c1-7(2)8-4-5-16(3,9(17)6-8)24-13-11(19)10(18)12(14(20)21)23-15(13)22/h7-13,15,17-19,22H,4-6H2,1-3H3,(H,20,21)
- SMILES
CC(=C)C1CCC(C)(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1
- Structure
Structure for 2-Hydroxylimonene-1-glucuronide
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 4
- Polar Surface Area
- 136.68
- Refractivity
- 81.03159999999998
- Polarizability
- 35.06304838126552
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.2459735734055246
- pKa (strongest acidic)
- 3.5804122283807005
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | 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