Verbenol (trans-)
Showing entry for Verbenol (trans-)
Identification
- PhytoHub ID
- PHUB001026
- Name
- Verbenol (trans-)
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 152.237
- Monoisotopic Mass
- 152.120115135
- Chemical Formula
- C10H16O
- IUPAC Name
- 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
- InChI Key
- WONIGEXYPVIKFS-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3
- SMILES
CC1=CC(O)C2CC1C2(C)C
- Structure
Structure for Verbenol (trans-)
Calculated Properties
- Solubility (ALOGPS)
- 3.51e+00 g/l
- LogS (ALOGPS)
- -1.64
- LogP (ALOGPS)
- 2.07
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 0
- Polar Surface Area
- 20.23
- Refractivity
- 46.160799999999995
- Polarizability
- 18.034253803250834
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.229259008687073
- pKa (strongest acidic)
- 18.58834245842004
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- PubChem
- 61126
- Chemistry Dashboard
- DTXSID2042511
- FooDB (Compounds)
- FDB014977
- PeakForestCompound
- 000753
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 | |
|---|---|---|---|---|
| Pinene-alpha | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Monoterpenoids
- Direct Parent Name
- Bicyclic monoterpenoids
- Alternative Parent Names
- ["Hydrocarbon derivatives", "Secondary alcohols"]
- External Descriptor Annotations
- ["a monoterpenol", "an insect hormone"]
- Substituent Names
- ["Alcohol", "Aliphatic homopolycyclic compound", "Bicyclic monoterpenoid", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Pinane monoterpenoid", "Secondary alcohol"]
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 | |||
|---|---|---|---|---|---|
| Pinene-alpha | Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Pinene-alpha | Nutmeg | Herbs and Spices | Publications | Show | |
| Pinene-alpha | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Pinene-alpha | Pepper | Herbs and Spices | Publications | Show | |
| Pinene-alpha | Peppermint | Herbs and Spices | Publications | Show | |
| Pinene-alpha | Star anise | Herbs and Spices | Publications | Show | |
| Pinene-alpha | Sweet bay | Herbs and Spices | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pinene-alpha | Verbenol (trans-) | rabbit | urine (major) | Not Available | Not Available | Not Available | Not Available | C10H16O | 152.120115135 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|