Perillic acid glucuronide
Showing entry for Perillic acid glucuronide
Identification
- PhytoHub ID
- PHUB000997
- Name
- Perillic acid glucuronide
- Systematic Name
- p-mentha-1,8-dienoyl-7-glucuronide
- Synonyms
- p-mentha-1,8-dien-7-oic acid glucuronide
- CAS Number
- Not Available
- Average Mass
- 342.344
- Monoisotopic Mass
- 342.131467668
- Chemical Formula
- C16H22O8
- IUPAC Name
- 3,4,5-trihydroxy-6-[4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbonyloxy]oxane-2-carboxylic acid
- InChI Key
- BDECPMREPJQCEB-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H22O8/c1-7(2)8-3-5-9(6-4-8)15(22)24-16-12(19)10(17)11(18)13(23-16)14(20)21/h5,8,10-13,16-19H,1,3-4,6H2,2H3,(H,20,21)
- SMILES
CC(=C)C1CCC(=CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O
- Structure
Structure for Perillic acid glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.63e+01 g/l
- LogS (ALOGPS)
- -1.32
- LogP (ALOGPS)
- 0.05
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 5
- Polar Surface Area
- 133.52
- Refractivity
- 80.4961
- Polarizability
- 34.56315868386571
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6869064304514017
- pKa (strongest acidic)
- 3.399599857314645
- 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