precursor

Showing entry for 1,8-cineole

Identification

PhytoHub ID
PHUB001840
Name
1,8-cineole
Systematic Name
Not Available
Synonyms
  • Eucalyptol
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
InChI Key
WEEGYLXZBRQIMU-WAAGHKOSSA-N
InChI Identifier
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
SMILES
C[C@@]12CC[C@@H](CC1)C(C)(C)O2
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.25e-02 g/l
LogS (ALOGPS)
-3.84
LogP (ALOGPS)
3.36
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
9.23
Refractivity
45.860899999999994
Polarizability
18.53077533453302
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.205900916339655
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 Food Phytochemical

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
1,8-cineole 2-hydroxy-1,8-cineoleNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982
1,8-cineole 3-hydroxy-1,8-cineoleNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982
1,8-cineole 9-hydroxy-1,8-cineoleNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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