Identification

PhytoHub ID
PHUB000975
Name
Uroterpenolone
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-UHFFFAOYSA-N
InChI Identifier
InChI=1S/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

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
20.125158555899873
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.0720816513479257
pKa (strongest acidic)
13.853689427826627
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Precursor Taxonomy

PrecursorFamilyClassSub-class
CarvoneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
CarvoneCarawayHerbs and Spices PublicationsShow
CarvoneDillHerbs and Spices PublicationsShow
CarvoneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Carvone Uroterpenolonehumanurine (major)C10H16O3184.109944375 Publications
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