8,9-epoxy-p-menth-1ene
Showing entry for 8,9-epoxy-p-menth-1ene
Identification
- PhytoHub ID
- PHUB002627
- Name
- 8,9-epoxy-p-menth-1ene
- Systematic Name
- 8,9-epoxy-p-meth-1-ene
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 152.237
- Monoisotopic Mass
- 152.120115135
- Chemical Formula
- C10H16O
- IUPAC Name
- 2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane
- InChI Key
- PJGRMBOWSWHGDV-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3
- SMILES
CC1=CCC(CC1)C1(C)CO1
- Structure
Structure for 8,9-epoxy-p-menth-1ene
Calculated Properties
- Solubility (ALOGPS)
- 3.66e-01 g/l
- LogS (ALOGPS)
- -2.62
- LogP (ALOGPS)
- 2.62
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 12.53
- Refractivity
- 46.4955
- Polarizability
- 18.32475195308992
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.202588274651706
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Precursor(s)
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Precursor(s)
| Precursor | 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 |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Limonene | 8,9-epoxy-p-menth-1ene | rat | Not Available | unknown | Not Available | Not Available | Not Available | C10H16O | 152.120115135 | Publications |
Inter-Individual Variations Metabolism
| Precursor | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Limonene | 8,9-epoxy-p-menth-1ene | BMI | Not studied | |||
| Limonene | 8,9-epoxy-p-menth-1ene | Smoking | Not studied | |||
| Limonene | 8,9-epoxy-p-menth-1ene | Ethnicity | Not studied | |||
| Limonene | 8,9-epoxy-p-menth-1ene | Genotype | Not studied | |||
| Limonene | 8,9-epoxy-p-menth-1ene | Microbiota | Not studied | |||
| Limonene | 8,9-epoxy-p-menth-1ene | Sex | Not studied | |||
| Limonene | 8,9-epoxy-p-menth-1ene | Age | Not studied | |||
| Limonene | 8,9-epoxy-p-menth-1ene | Health-Status | Not studied |