Perillic acid sulfate
Showing entry for Perillic acid sulfate
Identification
- PhytoHub ID
- PHUB002618
- Name
- Perillic acid sulfate
- Systematic Name
- p-mentha-1,8,dien-7-oic acid sulfate
- Synonyms
- p-mentha-1,8-dienoic-7-sulfate
- CAS Number
- Not Available
- Average Mass
- 246.28
- Monoisotopic Mass
- 246.056194725
- Chemical Formula
- C10H14O5S
- IUPAC Name
- [4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbonyloxy]sulfonic acid
- InChI Key
- VTTPXJFBCYGPCC-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O5S/c1-7(2)8-3-5-9(6-4-8)10(11)15-16(12,13)14/h5,8H,1,3-4,6H2,2H3,(H,12,13,14)
- SMILES
CC(=C)C1CCC(=CC1)C(=O)OS(O)(=O)=O
- Structure
Structure for Perillic acid sulfate
Calculated Properties
- Solubility (ALOGPS)
- 7.21e-01 g/l
- LogS (ALOGPS)
- -2.53
- LogP (ALOGPS)
- 0.23
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 4
- Polar Surface Area
- 80.67000000000002
- Refractivity
- 58.476099999999995
- Polarizability
- 24.282565673413405
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -7.382081754501596
- pKa (strongest acidic)
- -1.6153479664387163
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
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 | |
|---|---|---|---|---|
| Limonene | 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 | |||
|---|---|---|---|---|---|
| Limonene | Apple | Fruit, Pomes | Publications | Show | |
| Limonene | Dill | Herbs and Spices | Show | ||
| Limonene | Ginseng | Herbs and Spices | Publications | Show | |
| Limonene | Grape | Fruit, Berries | Publications | Show | |
| Limonene | Grape wine | Beverages, Alcoholic | Publications | Show | |
| Limonene | Lemon | Fruit, Citrus | Publications | Show | |
| Limonene | Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Limonene | Mint | Herbs and Spices | Publications | Show | |
| Limonene | Nutmeg | Herbs and Spices | Show | ||
| Limonene | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Limonene | Pepper | Herbs and Spices | Show | ||
| Limonene | Peppermint | Herbs and Spices | Publications | Show | |
| Limonene | Star anise | Herbs and Spices | Publications | Show | |
| Limonene | Sweet orange | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Limonene | Perillic acid sulfate | mouse rat | Not Available | unknown | Not Available | Not Available | Not Available | C10H14O5S | 246.056194725 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|