metabolite

Showing entry for Menthane-3,9-diol (p-)

Identification

PhytoHub ID
PHUB001019
Name
Menthane-3,9-diol (p-)
Systematic Name
Not Available
Synonyms
  • 2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CAS Number
Not Available
Average Mass
172.268
Monoisotopic Mass
172.146329884
Chemical Formula
C10H20O2
IUPAC Name
2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
InChI Key
RZDAUSHWMAGQJS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H20O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7-12H,3-6H2,1-2H3
SMILES
CC(CO)C1CCC(C)CC1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
9.55e+00 g/l
LogS (ALOGPS)
-1.26
LogP (ALOGPS)
1.60
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
49.29699999999999
Polarizability
20.59664061989195
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.5944786809481135
pKa (strongest acidic)
14.81958972042942
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
(-)-MentholTerpenoidsMonoterpenoidsNot 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)

Food PhytochemicalFood SourceFood Source Group
(-)-MentholMintHerbs and Spices PublicationsShow
(-)-MentholPeppermintHerbs and Spices PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
(-)-Menthol Menthane-3,9-diol (p-)raturineNot AvailableNot AvailableNot AvailableNot AvailableC10H20O2172.146329884 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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