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-BBYIEOQPSA-N
InChI Identifier
InChI=1S/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+/m0/s1
SMILES
CC(=C)C1CCC(CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]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 Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

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

Metabolism

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

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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