precursor metabolite

Showing entry for Carvone

Identification

PhytoHub ID
PHUB000033
Name
Carvone
Systematic Name
p-mentha-1,8-die-6-ona
Synonyms
  • Carvol
CAS Number
Not Available
Average Mass
150.221
Monoisotopic Mass
150.104465071
Chemical Formula
C10H14O
IUPAC Name
2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
InChI Key
ULDHMXUKGWMISQ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
SMILES
CC(=C)C1CC=C(C)C(=O)C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.16e+00 g/l
LogS (ALOGPS)
-2.11
LogP (ALOGPS)
2.77
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
17.07
Refractivity
47.1735
Polarizability
17.63972538948838
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.655503656223822
pKa (strongest acidic)
Not Available
Number of Rings
1
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

Taxonomy as Metabolite

Metabolite Family
Terpenoid metabolites
Metabolite Class
Monoterpenoid metabolites
Metabolite Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

NameGroup
CarawayHerbs and Spices PublicationsShow
DillHerbs and Spices PublicationsShow
Mandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
LimoneneAppleFruit, Pomes PublicationsShow
LimoneneDillHerbs and SpicesShow
LimoneneGinsengHerbs and Spices PublicationsShow
LimoneneGrapeFruit, Berries PublicationsShow
LimoneneGrape wineBeverages, Alcoholic PublicationsShow
LimoneneLemonFruit, Citrus PublicationsShow
LimoneneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
LimoneneMintHerbs and Spices PublicationsShow
LimoneneNutmegHerbs and SpicesShow
LimoneneOrange juiceBeverages, Non-alcoholic PublicationsShow
LimonenePepperHerbs and SpicesShow
LimonenePeppermintHerbs and Spices PublicationsShow
LimoneneStar aniseHerbs and Spices PublicationsShow
LimoneneSweet orangeFruit, Citrus PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Carvone Carveolhumanurine (minor)Not AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications
Carvone Carveol glucuronidehumanurineNot AvailableNot AvailableNot AvailableNot AvailableC16H24O7328.152203113 Publications
Carvone Dihydrocarveolhumanurine (minor)Not AvailableNot AvailableNot AvailableNot AvailableC10H18O154.1357652 Publications
Carvone Carvonic acidhumanurine (major)Not AvailableNot AvailableNot AvailableNot AvailableC10H12O3180.078644246 Publications
Carvone Dihydrocarvonic acidhumanurine (major)Not AvailableNot AvailableNot AvailableNot AvailableC10H14O3182.094294311 Publications
Carvone Uroterpenolonehumanurine (major)Not AvailableNot AvailableNot AvailableNot AvailableC10H16O3184.109944375 Publications
Limonene Carvonedog guinea pig rabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H14O150.104465071 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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