1-Hydroxylimonene-2-glucuronide
Showing entry for 1-Hydroxylimonene-2-glucuronide
Identification
- PhytoHub ID
- PHUB002619
- Name
- 1-Hydroxylimonene-2-glucuronide
- Systematic Name
- p-menth-8-en-1-ol-2-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-2-methyl-5-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
- InChI Key
- ZHMYUZSNXZNQIB-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H26O8/c1-7(2)8-4-5-16(3,22)9(6-8)23-13-11(18)10(17)12(14(19)20)24-15(13)21/h8-13,15,17-18,21-22H,1,4-6H2,2-3H3,(H,19,20)
- SMILES
CC(=C)C1CCC(C)(O)C(C1)OC1OC(C(O)C(O)C1O)C(O)=O
- Structure
Structure for 1-Hydroxylimonene-2-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
- 34.967987333464436
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.2145416286026633
- pKa (strongest acidic)
- 3.5449640004146152
- 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