Identification

PhytoHub ID
PHUB002627
Name
8,9-epoxy-p-menth-1ene
Systematic Name
8,9-epoxy-p-meth-1-ene
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane
InChI Key
PJGRMBOWSWHGDV-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3
SMILES
CC1=CCC(CC1)C1(C)CO1
Structure

Calculated Properties

Solubility (ALOGPS)
3.66e-01 g/l
LogS (ALOGPS)
-2.62
LogP (ALOGPS)
2.62
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
12.53
Refractivity
46.4955
Polarizability
18.32475195308992
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.202588274651706
pKa (strongest acidic)
Not Available
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
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
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 8,9-epoxy-p-menth-1eneratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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