Identification

PhytoHub ID
PHUB000990
Name
Limonene-1,2-diol
Systematic Name
p-menth-8-en-1,2-diol
Synonyms
  • (1S,2S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
CAS Number
Not Available
Average Mass
184.279
Monoisotopic Mass
184.146329884
Chemical Formula
C11H20O2
IUPAC Name
1,2-dimethyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
InChI Key
UWSDWYXXODAXOJ-UHFFFAOYNA-N
InChI Identifier
InChI=1/C11H20O2/c1-8(2)9-5-6-10(3,12)11(4,13)7-9/h9,12-13H,1,5-7H2,2-4H3
SMILES
CC(=C)C1CCC(C)(O)C(C)(O)C1
Structure

Calculated Properties

Solubility (ALOGPS)
5.00e+00 g/l
LogS (ALOGPS)
-1.57
LogP (ALOGPS)
1.33
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
53.3891
Polarizability
21.402313137605695
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.2843155747225574
pKa (strongest acidic)
13.579946695147084
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
Terpenoids
Class
Monoterpenoids
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 Limonene-1,2-diolhuman ratplasmaNot AvailableNot AvailableNot AvailableNot AvailableC11H20O2184.146329884 Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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