Dihydroperillic acid (trans-)
Showing entry for Dihydroperillic acid (trans-)
Identification
- PhytoHub ID
- PHUB001000
- Name
- Dihydroperillic acid (trans-)
- Systematic Name
- E-p-menth-8-en-7-oic acid
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 168.236
- Monoisotopic Mass
- 168.115029755
- Chemical Formula
- C10H16O2
- IUPAC Name
- (1s,4s)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid
- InChI Key
- XZOBEDLKVOHSSH-DTORHVGOSA-N
- InChI Identifier
InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9+
- SMILES
CC(=C)[[email protected]]1CC[[email protected]](CC1)C(O)=O
- Structure
Structure for Dihydroperillic acid (trans-)
Calculated Properties
- Solubility (ALOGPS)
- 1.60e+00 g/l
- LogS (ALOGPS)
- -2.02
- LogP (ALOGPS)
- 2.56
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 37.3
- Refractivity
- 47.321600000000004
- Polarizability
- 18.861977363456948
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 4.939568069425187
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Terpenoids
- Class
- Monoterpenoids
- 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 Online Resources
No spectra information available
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 | Dihydroperillic acid (trans-) | human mouse rat | plasma, urine | Not Available | Not Available | Not Available | Not Available | C10H16O2 | 168.115029755 | Publications |
Inter-Individual Variations Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonene | Dihydroperillic acid (trans-) | BMI | Not studied | |||
| Limonene | Dihydroperillic acid (trans-) | Smoking | Not studied | |||
| Limonene | Dihydroperillic acid (trans-) | Ethnicity | Not studied | |||
| Limonene | Dihydroperillic acid (trans-) | Genotype | Not studied | |||
| Limonene | Dihydroperillic acid (trans-) | Microbiota | Not studied | |||
| Limonene | Dihydroperillic acid (trans-) | Sex | Not studied | |||
| Limonene | Dihydroperillic acid (trans-) | Age | Not studied | |||
| Limonene | Dihydroperillic acid (trans-) | Health-Status | Not studied |