Identification

PhytoHub ID
PHUB002631
Name
Perillyl-beta-D-glucuronide
Systematic Name
p-mentha-1,8-dien-7-ol glucuronide
Synonyms
  • p-mentha-1,8-dienol-7-glucuronide
CAS Number
Not Available
Average Mass
328.361
Monoisotopic Mass
328.152203113
Chemical Formula
C16H24O7
IUPAC Name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methoxy}oxane-2-carboxylic acid
InChI Key
USSVDYQHMLZFBY-NDDASSSGNA-N
InChI Identifier
InChI=1/C16H24O7/c1-8(2)10-5-3-9(4-6-10)7-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h3,10-14,16-19H,1,4-7H2,2H3,(H,20,21)/t10?,11-,12-,13+,14-,16+/s2
SMILES
CC(=C)C1CCC(CO[[email protected]@H]2O[[email protected]@H]([[email protected]@H](O)[[email protected]](O)[[email protected]]2O)C(O)=O)=CC1
Structure

Calculated Properties

Solubility (ALOGPS)
1.34e+01 g/l
LogS (ALOGPS)
-1.39
LogP (ALOGPS)
0.41
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
5
Polar Surface Area
116.45000000000002
Refractivity
80.53569999999999
Polarizability
34.40854752066184
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6865000329172193
pKa (strongest acidic)
3.5847715966694316
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene Perillyl-beta-D-glucuronideNot AvailableNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H24O7328.152203113 Publications

Inter-Individual Variations Metabolism

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