Identification

PhytoHub ID
PHUB001848
Name
Limonene-8,9-epoxide
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
18.324624761845584
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

Spectra from Online Resources

No spectra information available

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-8,9-epoxideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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