metabolite

Showing entry for Uroterpenolone

Identification

PhytoHub ID
PHUB000975
Name
Uroterpenolone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
184.235
Monoisotopic Mass
184.109944375
Chemical Formula
C10H16O3
IUPAC Name
5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one
InChI Key
AOKPDATZUBLDMG-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H16O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h3,8,11,13H,4-6H2,1-2H3
SMILES
CC1=CCC(CC1=O)C(C)(O)CO
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.97e+01 g/l
LogS (ALOGPS)
-0.97
LogP (ALOGPS)
0.34
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
57.53
Refractivity
50.6988
Polarizability
19.99473574062334
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.0720816513479257
pKa (strongest acidic)
13.853945720450323
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
CarvoneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

No spectra information available

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 Uroterpenolonehumanurine (major)Not AvailableNot AvailableNot AvailableNot AvailableC10H16O3184.109944375 Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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