8,9-dihydroxy-p-menthan-7-oic acid glucuronide III

Identification

PhytoHub ID
PHUB002626
Name
8,9-dihydroxy-p-menthan-7-oic acid glucuronide III
Systematic Name
8,9-dihydroxy-p-menthan-7-oic acid glucuronide
Synonyms
  • 8,9-dihydroxy-p-menthanoic-7-glucuronide
CAS Number
Not Available
Average Mass
378.374
Monoisotopic Mass
378.152597037
Chemical Formula
C16H26O10
IUPAC Name
5-[4-(1,2-dihydroxypropan-2-yl)cyclohexanecarbonyloxy]-3,4,6-trihydroxyoxane-2-carboxylic acid
InChI Key
SPBGAERACWXZRX-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H26O10/c1-16(24,6-17)8-4-2-7(3-5-8)14(22)26-12-10(19)9(18)11(13(20)21)25-15(12)23/h7-12,15,17-19,23-24H,2-6H2,1H3,(H,20,21)
SMILES
CC(O)(CO)C1CCC(CC1)C(=O)OC1C(O)OC(C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.13e+01 g/l
LogS (ALOGPS)
-1.25
LogP (ALOGPS)
-1.12
Hydrogen Acceptors
9
Hydrogen Donors
6
Rotatable Bond Count
6
Polar Surface Area
173.98
Refractivity
83.14549999999998
Polarizability
37.24721438604897
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.0715280078956315
pKa (strongest acidic)
3.2465147767693527
Number of Rings
2
Rule of Five
No
Bioavailability
Yes
Ghose Filter
No
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 8,9-dihydroxy-p-menthan-7-oic acid glucuronide IIImouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O10378.152597037 Publications
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