Cineol (1,8-)
precursor
Showing entry for Cineol (1,8-)
Identification
- PhytoHub ID
- PHUB000034
- Name
- Cineol (1,8-)
- Systematic Name
- Not Available
- Synonyms
- Cajeputol
- Eucalyptol
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
- InChI Key
- WEEGYLXZBRQIMU-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
- SMILES
CC12CCC(CC1)C(C)(C)O2
- Structure
Structure for Cineol (1,8-)
Calculated Properties
- Solubility (ALOGPS)
- 2.25e-02 g/l
- LogS (ALOGPS)
- -3.84
- LogP (ALOGPS)
- 3.36
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 9.23
- Refractivity
- 45.8609
- Polarizability
- 18.538015531968256
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.205900916339655
- 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
- PubChem
- 2758
- Chemistry Dashboard
- DTXSID4020616
- KNApSAcK
- C00000136
- FooDB (Compounds)
- FDB014616
- PeakForestCompound
- 000029
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Oxanes
- Super-class
- Organoheterocyclic compounds
- Sub-class
- Not Available
- Direct Parent Name
- Oxanes
- Alternative Parent Names
- ["Dialkyl ethers", "Hydrocarbon derivatives", "Oxacyclic compounds"]
- External Descriptor Annotations
- ["Cyclic monoterpenes", "Menthane monoterpenoids", "a monoterpenoid"]
- Substituent Names
- ["Aliphatic heteropolycyclic compound", "Dialkyl ether", "Ether", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Oxacycle", "Oxane"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| JP000248 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP000321 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP005799 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006595 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006609 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007383 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007542 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007562 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007933 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP008386 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cardamom | Herbs and Spices | Publications | Show | |
| Common sage | Herbs and Spices | Publications | Show | |
| Nutmeg | Herbs and Spices | Publications | Show | |
| Pepper | Herbs and Spices | Publications | Show | |
| Peppermint | Herbs and Spices | Publications | Show | |
| Rosemary | Herbs and Spices | Publications | Show | |
| Sweet basil | Herbs and Spices | Publications | Show | |
| Sweet bay | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available