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-UHFFFAOYNA-N
InChI Identifier
InChI=1/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 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 aciddog guinea pig human rabbit ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H18O4202.12050906 Publications
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