metabolite

Showing entry for p-mentha-8-en-7-ol glucuronide

Identification

PhytoHub ID
PHUB002630
Name
p-mentha-8-en-7-ol glucuronide
Systematic Name
Not Available
Synonyms
  • p-mentha-1-en-7-ol glucuronide
CAS Number
Not Available
Average Mass
330.377
Monoisotopic Mass
330.167853177
Chemical Formula
C16H26O7
IUPAC Name
3,4,5-trihydroxy-6-{[4-(prop-1-en-2-yl)cyclohexyl]methoxy}oxane-2-carboxylic acid
InChI Key
NXZVFWQWQULPST-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H26O7/c1-8(2)10-5-3-9(4-6-10)7-22-14-12(18)11(17)13(15(19)20)23-16(14)21/h9-14,16-18,21H,1,3-7H2,2H3,(H,19,20)
SMILES
CC(=C)C1CCC(COC2OC(C(O)C(O)C2O)C(O)=O)CC1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
5
Polar Surface Area
116.45000000000002
Refractivity
79.7627
Polarizability
34.9043079966948
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6864920983021414
pKa (strongest acidic)
3.6252072741347217
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

Spectra from Online Resources

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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