Terpinene-gamma
precursor
Showing entry for Terpinene-gamma
Identification
- PhytoHub ID
- PHUB000089
- Name
- Terpinene-gamma
- 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-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
- InChI Key
- YKFLAYDHMOASIY-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
- SMILES
CC(C)C1=CCC(C)=CC1
- Structure
Structure for Terpinene-gamma
Calculated Properties
- Solubility (ALOGPS)
- 5.35e-01 g/l
- LogS (ALOGPS)
- -2.41
- LogP (ALOGPS)
- 4.36
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 0.0
- Refractivity
- 47.5528
- Polarizability
- 17.612227235291474
- 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
- 10577
- PubChem
- 7461
- Chemistry Dashboard
- DTXSID6041210
- KNApSAcK
- C00003061
- MetaboLights
- MTBLC10577
- FooDB (Compounds)
- FDB015968
- PeakForestCompound
- 000082
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Unsaturated hydrocarbons
- Super-class
- Hydrocarbons
- Sub-class
- Branched unsaturated hydrocarbons
- Direct Parent Name
- Branched unsaturated hydrocarbons
- Alternative Parent Names
- ["Cyclic olefins", "Unsaturated aliphatic hydrocarbons"]
- External Descriptor Annotations
- ["Cyclic monoterpenes", "Menthane monoterpenoids", "a monoterpenoid", "monoterpene"]
- Substituent Names
- ["Aliphatic homomonocyclic compound", "Branched unsaturated hydrocarbon", "Cyclic olefin", "Olefin", "Unsaturated aliphatic hydrocarbon"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| JP004717 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007120 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007396 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007568 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP011073 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cumin | Herbs and Spices | Publications | Show | |
| Grape | Fruit, Berries | Publications | Show | |
| Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Orange juice | Beverages, Non-alcoholic | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations Metabolism
No data on inter-individual variations available