Phellandrene-beta
precursor
Showing entry for Phellandrene-beta
Identification
- PhytoHub ID
- PHUB000078
- Name
- Phellandrene-beta
- Systematic Name
- Not Available
- Synonyms
- p-Mentha-1(7),2-diene
- CAS Number
- Not Available
- Average Mass
- 136.238
- Monoisotopic Mass
- 136.125200515
- Chemical Formula
- C10H16
- IUPAC Name
- 3-methylidene-6-(propan-2-yl)cyclohex-1-ene
- InChI Key
- LFJQCDVYDGGFCH-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
- SMILES
CC(C)C1CCC(=C)C=C1
- Structure
Structure for Phellandrene-beta
Calculated Properties
- Solubility (ALOGPS)
- 3.44e-02 g/l
- LogS (ALOGPS)
- -3.60
- LogP (ALOGPS)
- 3.98
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 0.0
- Refractivity
- 46.746900000000004
- Polarizability
- 17.462352209212536
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 48741
- PubChem
- 11142
- Chemistry Dashboard
- DTXSID4052215
- MetaboLights
- MTBLC48741
- FooDB (Compounds)
- FDB014917
- PeakForestCompound
- 000071
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cheese | Milk and milk products | Publications | Show | |
| Parsley | Herbs and Spices | 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