metabolite

Showing entry for 3-Hydroxytricyclene

Identification

PhytoHub ID
PHUB000961
Name
3-Hydroxytricyclene
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
1,5,5-trimethyltricyclo[2.2.1.0^{2,6}]heptan-3-ol
InChI Key
VUYGLHIDKHEDOF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-9(2)5-4-10(3)6(7(5)11)8(9)10/h5-8,11H,4H2,1-3H3
SMILES
CC12CC3C(O)C1C2C3(C)C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.49e+00 g/l
LogS (ALOGPS)
-1.79
LogP (ALOGPS)
1.68
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
20.23
Refractivity
43.4073
Polarizability
18.00928066545679
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.9168802082649703
pKa (strongest acidic)
19.3025143843965
Number of Rings
3
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 Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
CampheneTerpenoidsMonoterpenoidsNot 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)

Food PhytochemicalFood SourceFood Source Group
CampheneRosemaryHerbs and Spices PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Camphene 3-HydroxytricyclenerabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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