Uroterpenolone
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
- 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
Structure for Uroterpenolone
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 Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Carvone | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Carvone | Caraway | Herbs and Spices | Publications | Show | |
| Carvone | Dill | Herbs and Spices | Publications | Show | |
| Carvone | Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Carvone | Uroterpenolone | human | urine (major) | Not Available | Not Available | Not Available | Not Available | C10H16O3 | 184.109944375 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|