metabolite

Showing entry for 10-hydroxyfenchone

Identification

PhytoHub ID
PHUB001816
Name
10-hydroxyfenchone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
168.236
Monoisotopic Mass
168.115029755
Chemical Formula
C10H16O2
IUPAC Name
1-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
InChI Key
DXBZHTQWANLTPY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O2/c1-9(2)7-3-4-10(5-7,6-11)8(9)12/h7,11H,3-6H2,1-2H3
SMILES
CC1(C)C2CCC(CO)(C2)C1=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
5.63e+00 g/l
LogS (ALOGPS)
-1.48
LogP (ALOGPS)
1.07
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
37.3
Refractivity
46.3185
Polarizability
18.789755744710455
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.8187468158223625
pKa (strongest acidic)
14.954396854544209
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
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
(+)-fenchoneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

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

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back