p-mentha-1,8-dien-carboxylic-acid
Showing entry for p-mentha-1,8-dien-carboxylic-acid
Identification
- PhytoHub ID
- PHUB001004
- Name
- p-mentha-1,8-dien-carboxylic-acid
- Systematic Name
- p-mentha-1,8-dien-10-oic acid
- Synonyms
- Perillic acid isomer
- CAS Number
- Not Available
- Average Mass
- 166.22
- Monoisotopic Mass
- 166.099379691
- Chemical Formula
- C10H14O2
- IUPAC Name
- 2-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid
- InChI Key
- OFWOMCSHJWTBGF-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,9H,2,4-6H2,1H3,(H,11,12)
- SMILES
CC1=CCC(CC1)C(=C)C(O)=O
- Structure
Structure for p-mentha-1,8-dien-carboxylic-acid
Calculated Properties
- Solubility (ALOGPS)
- 1.55e+00 g/l
- LogS (ALOGPS)
- -2.03
- LogP (ALOGPS)
- 2.59
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 37.3
- Refractivity
- 48.197500000000005
- Polarizability
- 18.57786965520366
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 4.78424575355389
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- 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 | |
|---|---|---|---|---|
| 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 | p-mentha-1,8-dien-carboxylic-acid | human rat | plasma | Not Available | Not Available | Not Available | Not Available | C10H14O2 | 166.099379691 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|