Identification

PhytoHub ID
PHUB002623
Name
8,9-dihydroxy-p-menthan-7-oic acid
Systematic Name
8,9-dihydroxy-p-menthan-7-oic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
202.25
Monoisotopic Mass
202.12050906
Chemical Formula
C10H18O4
IUPAC Name
4-(1,2-dihydroxypropan-2-yl)cyclohexane-1-carboxylic acid
InChI Key
BPQOJBDLNHDYDO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O4/c1-10(14,6-11)8-4-2-7(3-5-8)9(12)13/h7-8,11,14H,2-6H2,1H3,(H,12,13)
SMILES
CC(O)(CO)C1CCC(CC1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.97e+01 g/l
LogS (ALOGPS)
-0.83
LogP (ALOGPS)
0.48
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
77.76
Refractivity
50.8469
Polarizability
21.735682664296014
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.0715280078930407
pKa (strongest acidic)
4.542262294532053
Number of Rings
1
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 Online Resources

No spectra information available

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 8,9-dihydroxy-p-menthan-7-oic aciddog guinea pig human rabbit ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H18O4202.12050906 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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