Dihydrocarveol
Showing entry for Dihydrocarveol
Identification
- PhytoHub ID
- PHUB000972
- Name
- Dihydrocarveol
- Systematic Name
- p-menth-8-en-6-ol
- Synonyms
- p-mentha-1-en-6-ol
- p-mentha-8-en-6-ol
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- 2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol
- InChI Key
- BPJKNHQCPHBIAR-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3
- SMILES
CC1CCC(CC1O)C(C)=C
- Structure
Structure for Dihydrocarveol
Calculated Properties
- Solubility (ALOGPS)
- 1.32e+00 g/l
- LogS (ALOGPS)
- -2.07
- LogP (ALOGPS)
- 2.70
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 20.23
- Refractivity
- 47.2228
- Polarizability
- 19.04506805301555
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.051561774405684
- pKa (strongest acidic)
- 18.994600424312566
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 50215
- PubChem
- 12072
- MetaboLights
- MTBLC50215
- PeakForestCompound
- 000729
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 | |
|---|---|---|---|---|
| Carvone | 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 | |||
|---|---|---|---|---|---|
| Carvone | Caraway | Herbs and Spices | Publications | Show | |
| Carvone | Dill | Herbs and Spices | Publications | Show | |
| Carvone | Mandarin orange (Clementine, Tangerine) | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Carvone | Dihydrocarveol | human | urine (minor) | Not Available | Not Available | Not Available | Not Available | C10H18O | 154.1357652 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|