Showing entry for Dihydrocarveol glucuronide

Identification

PhytoHub ID
PHUB002628
Name
Dihydrocarveol glucuronide
Systematic Name
p-menth-8-en-6-ol glucuronide
Synonyms
  • p-mentha-1-en-6-ol glucuronide
  • p-mentha-8-en-6-ol glucuronide
CAS Number
Not Available
Average Mass
330.377
Monoisotopic Mass
330.167853177
Chemical Formula
C16H26O7
IUPAC Name
3,4,6-trihydroxy-5-{[2-methyl-5-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid
InChI Key
FPYOBONSMBLNDR-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H26O7/c1-7(2)9-5-4-8(3)10(6-9)22-14-12(18)11(17)13(15(19)20)23-16(14)21/h8-14,16-18,21H,1,4-6H2,2-3H3,(H,19,20)
SMILES
CC1CCC(CC1OC1C(O)OC(C(O)C1O)C(O)=O)C(C)=C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.54e+01 g/l
LogS (ALOGPS)
-1.33
LogP (ALOGPS)
0.32
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
4
Polar Surface Area
116.45
Refractivity
79.50349999999999
Polarizability
34.62272622998649
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6908870230062543
pKa (strongest acidic)
3.5660619192097633
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene Dihydrocarveol glucuronideratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O7330.167853177 Publications

Inter-Individual Variations Metabolism

PrecursorMetaboliteEffectValue
Limonene Dihydrocarveol glucuronideBMINot studied
Limonene Dihydrocarveol glucuronideSmokingNot studied
Limonene Dihydrocarveol glucuronideEthnicityNot studied
Limonene Dihydrocarveol glucuronideGenotypeNot studied
Limonene Dihydrocarveol glucuronideMicrobiotaNot studied
Limonene Dihydrocarveol glucuronideSexNot studied
Limonene Dihydrocarveol glucuronideAgeNot studied
Limonene Dihydrocarveol glucuronideHealth-StatusNot studied
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