Identification

PhytoHub ID
PHUB001007
Name
Myrcene-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
7-methyl-3-methylideneoct-6-ene-1,2-diol
InChI Key
CSRABKKYPRURRM-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,10-12H,3-4,6-7H2,1-2H3
SMILES
CC(C)=CCCC(=C)C(O)CO
Structure

Calculated Properties

Solubility (ALOGPS)
6.95e+00 g/l
LogS (ALOGPS)
-1.39
LogP (ALOGPS)
1.48
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
5
Polar Surface Area
40.46
Refractivity
51.47109999999999
Polarizability
20.34121030506114
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.95764881648628
pKa (strongest acidic)
13.79283376579218
Number of Rings
0
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
MyrceneTerpenoidsMonoterpenoidsNot 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
Myrcene Myrcene-1,2-glycolrabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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