metabolite

Showing entry for Dihydrocarveol

Identification

PhytoHub ID
PHUB000972
Name
Dihydrocarveol
Systematic Name
p-menth-8-en-6-ol
Synonyms
  • p-mentha-8-en-6-ol
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol
InChI Key
BPJKNHQCPHBIAR-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3
SMILES
CC1CCC(CC1O)C(C)=C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.32e+00 g/l
LogS (ALOGPS)
-2.07
LogP (ALOGPS)
2.70
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
47.2228
Polarizability
19.04506805301555
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.051561774405684
pKa (strongest acidic)
18.994600424312566
Number of Rings
1
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
CarvoneTerpenoidsMonoterpenoidsacyclicShow 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
CarvoneCarawayHerbs and Spices PublicationsShow
CarvoneDillHerbs and Spices PublicationsShow
CarvoneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Carvone Dihydrocarveolhumanurine (minor)Not AvailableNot AvailableNot AvailableNot AvailableC10H18O154.1357652 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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