Perillic acid-8,9-diol
Showing entry for Perillic acid-8,9-diol
Identification
- PhytoHub ID
- PHUB000999
- Name
- Perillic acid-8,9-diol
- Systematic Name
- 8,9-dihydroxy-p-menth-1-en-7-oic acid
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 200.234
- Monoisotopic Mass
- 200.104858995
- Chemical Formula
- C10H16O4
- IUPAC Name
- 4-(1,2-dihydroxypropan-2-yl)cyclohex-1-ene-1-carboxylic acid
- InChI Key
- XZOBEDLKVOHSSH-DTORHVGOSA-N
- InChI Identifier
InChI=1S/C10H16O4/c1-10(14,6-11)8-4-2-7(3-5-8)9(12)13/h2,8,11,14H,3-6H2,1H3,(H,12,13)
- SMILES
CC(O)(CO)C1CCC(=CC1)C(O)=O
- Structure
Structure for Perillic acid-8,9-diol
Calculated Properties
- Solubility (ALOGPS)
- 1.78e+01 g/l
- LogS (ALOGPS)
- -1.05
- LogP (ALOGPS)
- 0.61
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 77.76
- Refractivity
- 51.7228
- Polarizability
- 21.140570473211596
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.0717695803368095
- pKa (strongest acidic)
- 4.410024077030334
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 71365551
- Chemistry Dashboard
- DTXSID60788958
- PeakForestCompound
- 000744
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-8,9-diol | dog rabbit rat | urine | Not Available | Not Available | Not Available | Not Available | C10H16O4 | 200.104858995 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|