Showing entry for Limonene-1,2-glycol

Identification

PhytoHub ID
PHUB001847
Name
Limonene-1,2-glycol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
170.252
Monoisotopic Mass
170.13067982
Chemical Formula
C10H18O2
IUPAC Name
1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
InChI Key
WKZWTZTZWGWEGE-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3
SMILES
CC(=C)C1CCC(C)(O)C(O)C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.46e+01 g/l
LogS (ALOGPS)
-1.07
LogP (ALOGPS)
1.11
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
48.7509
Polarizability
19.645435912056854
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.2077045612970774
pKa (strongest acidic)
13.72647686245353
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene Limonene-1,2-glycolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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