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 Phytohub
| Spectrum Type | Instrument Type | Technology | Ion Mode | Collision Energy | View | |
|---|---|---|---|---|---|---|
| GC-MS | EI-B | instrument=HITACHI M-80B | positive | Not Available | View Spectrum | |
| GC-MS | EI-B | instrument=HITACHI M-80 | positive | Not Available | View Spectrum | |
| GC-MS | EI-B | instrument=HITACHI M-80 | positive | Not Available | View Spectrum | |
| GC-MS | EI-B | instrument=HITACHI M-80B | positive | Not Available | View Spectrum | |
| GC-MS | EI-B | instrument=HITACHI M-80 | positive | Not Available | View Spectrum | |
| GC-MS | EI-B | instrument=HITACHI M-80 | positive | Not Available | View Spectrum | |
| GC-MS | GC-EI-Q | Collected by Yilin Wang May 2020 for CannabisDB, instrument= Agilent 7890B GC, Agilent 5977A MSD | Positive | Not Available | View Spectrum | |
| Predicted GC-MS | GC-MS | Predicted by CFMID-EI, energy0 | Positive | Not Available | View Spectrum | |
| Predicted GC-MS | GC-MS | Predicted by CFMID-EI, energy0 | Ei | Not Available | View Spectrum | |
| LC-MS/MS | Quattro_QQQ | delivery=Flow_Injection analyzer=Triple_Quad | Positive | 10V | View Spectrum | |
| LC-MS/MS | Quattro_QQQ | delivery=Flow_Injection analyzer=Triple_Quad | Positive | 25V | View Spectrum | |
| LC-MS/MS | Quattro_QQQ | delivery=Flow_Injection analyzer=Triple_Quad | Positive | 40V | View Spectrum | |
| LC-MS/MS | EI-B (HITACHI M-80B) | Not Available | Positive | V | View Spectrum | |
| LC-MS/MS | EI-B (HITACHI M-80) | Not Available | Positive | V | View Spectrum | |
| LC-MS/MS | EI-B (HITACHI M-80) | Not Available | Positive | V | View Spectrum | |
| LC-MS/MS | LC-Q-TOF/MS | adduct_type [M-H]- original_collision_energy Ramp 5-45 V CannabisDB spectra from MoNa 2020 June Q-Tof Premier, Waters ReSpect | negative | 25V | View Spectrum | |
| LC-MS/MS | LC-Q-TOF/MS | adduct_type [M-H]- original_collision_energy 30 V CannabisDB spectra from MoNa 2020 June Q-Tof Premier, Waters ReSpect | negative | 30V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 10V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 20V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 40V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 10V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 20V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 40V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Positive | 10V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Positive | 20V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Positive | 40V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 10V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 20V | View Spectrum | |
| Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 40V | View Spectrum |
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 in Metabolism
No data on inter-individual variations available