metabolite

Showing entry for 10-hydroxytricyclene

Identification

PhytoHub ID
PHUB000962
Name
10-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
{3,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-1-yl}methanol
InChI Key
BJPLLVVMZQZECT-WNFCRHOISA-N
InChI Identifier
InChI=1S/C10H16O/c1-9(2)6-3-7-8(9)10(7,4-6)5-11/h6-8,11H,3-5H2,1-2H3
SMILES
CC1(C)C2C3CC1CC23CO
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
7.79e-01 g/l
LogS (ALOGPS)
-2.29
LogP (ALOGPS)
2.16
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
43.6665
Polarizability
18.056372348135614
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.4281783852463095
pKa (strongest acidic)
18.133565648728144
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

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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