Tricyclene
precursor
Showing entry for Tricyclene
Identification
- PhytoHub ID
- PHUB000097
- Name
- Tricyclene
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 136.238
- Monoisotopic Mass
- 136.125200515
- Chemical Formula
- C10H16
- IUPAC Name
- 1,7,7-trimethyltricyclo[2.2.1.0^{2,6}]heptane
- InChI Key
- RRBYUSWBLVXTQN-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3
- SMILES
CC12C3CC(CC13)C2(C)C
- Structure
Structure for Tricyclene
Calculated Properties
- Solubility (ALOGPS)
- 1.08e-02 g/l
- LogS (ALOGPS)
- -4.10
- LogP (ALOGPS)
- 3.43
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 0.0
- Refractivity
- 41.891799999999996
- Polarizability
- 16.98587740040538
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 64266
- PubChem
- 79035
- Chemistry Dashboard
- DTXSID90858714
- FooDB (Compounds)
- FDB017346
- PeakForestCompound
- 000090
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| JP004717 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP011073 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Spectra from Phytohub
|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cheese | Milk and milk products | 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