Identification

PhytoHub ID
PHUB000975
Name
Uroterpenolone
Systematic Name
8,9-dihydroxy-p-menth-1-en-6-one
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
SLFZJKUFAVHARP-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
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
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

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Inter-Individual Variations in Metabolism

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