Limonene-1,2-diol
Showing entry for Limonene-1,2-diol
Identification
- PhytoHub ID
- PHUB000990
- Name
- Limonene-1,2-diol
- Systematic Name
- p-menth-8-en-1,2-diol
- Synonyms
- (1S,2S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
- CAS Number
- Not Available
- Average Mass
- 184.279
- Monoisotopic Mass
- 184.146329884
- Chemical Formula
- C11H20O2
- IUPAC Name
- 1,2-dimethyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
- InChI Key
- UWSDWYXXODAXOJ-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C11H20O2/c1-8(2)9-5-6-10(3,12)11(4,13)7-9/h9,12-13H,1,5-7H2,2-4H3
- SMILES
CC(=C)C1CCC(C)(O)C(C)(O)C1
- Structure
Structure for Limonene-1,2-diol
Calculated Properties
- Solubility (ALOGPS)
- 5.00e+00 g/l
- LogS (ALOGPS)
- -1.57
- LogP (ALOGPS)
- 1.33
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 40.46
- Refractivity
- 53.3891
- Polarizability
- 21.402313137605695
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.2843155747225574
- pKa (strongest acidic)
- 13.579946695147084
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
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 | Limonene-1,2-diol | human rat | plasma | Not Available | Not Available | Not Available | Not Available | C11H20O2 | 184.146329884 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available