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-UHFFFAOYNA-N
InChI Identifier
InChI=1/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 Precursor(s)

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene 8,9-epoxy-p-menth-1eneratNot AvailableunknownNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications

Inter-Individual Variations Metabolism

PrecursorMetaboliteEffectValue
Limonene 8,9-epoxy-p-menth-1eneBMINot studied
Limonene 8,9-epoxy-p-menth-1eneSmokingNot studied
Limonene 8,9-epoxy-p-menth-1eneEthnicityNot studied
Limonene 8,9-epoxy-p-menth-1eneGenotypeNot studied
Limonene 8,9-epoxy-p-menth-1eneMicrobiotaNot studied
Limonene 8,9-epoxy-p-menth-1eneSexNot studied
Limonene 8,9-epoxy-p-menth-1eneAgeNot studied
Limonene 8,9-epoxy-p-menth-1eneHealth-StatusNot studied
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