Perillic acid
Showing entry for Perillic acid
Identification
- PhytoHub ID
- PHUB000996
- Name
- Perillic acid
- Systematic Name
- p-mentha-1,8-dien-7-oic acid
- Synonyms
- 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid
- CAS Number
- 7694-45-3
- Average Mass
- 166.22
- Monoisotopic Mass
- 166.099379691
- Chemical Formula
- C10H14O2
- IUPAC Name
- 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid
- InChI Key
- FHTHLGGWYHOQOW-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
- SMILES
CC(=C)C1CCC(=CC1)C(O)=O
- Structure
Structure for Perillic acid
Calculated Properties
- Solubility (ALOGPS)
- 1.63e+00 g/l
- LogS (ALOGPS)
- -2.01
- LogP (ALOGPS)
- 2.47
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 37.3
- Refractivity
- 48.197500000000005
- Polarizability
- 18.63593048602701
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 4.791787353232393
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- CHEBI:36999
- PubChem
- 1256
- HMDB
- HMDB0004586
- KEGG
- C11924
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 |
| Perillyl aldehyde | 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 | |
| Perillyl aldehyde | 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 | dog guinea pig human mouse rabbit rat | plasma, urine | Not Available | Not Available | Not Available | Not Available | C10H14O2 | 166.099379691 | Publications | |||
| Perillyl aldehyde | Perillic acid | rabbit | urine | Not Available | Not Available | Not Available | Not Available | C10H14O2 | 166.099379691 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|