precursor

Showing entry for (+)-fenchone

Identification

PhytoHub ID
PHUB001813
Name
(+)-fenchone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
InChI Key
LHXDLQBQYFFVNW-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
SMILES
CC1(C)C2CCC(C)(C2)C1=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.83e-01 g/l
LogS (ALOGPS)
-2.24
LogP (ALOGPS)
2.54
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
17.07
Refractivity
44.543800000000005
Polarizability
17.853066725017833
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-7.5937409427587745
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 Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
(+)-fenchone 6-endo-hydroxyfenchoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H16O2168.115029755
(+)-fenchone 6-exo-hydroxyfenchoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H16O2168.115029755
(+)-fenchone 10-hydroxyfenchoneNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H16O2168.115029755

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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