Sabinene
precursor
Showing entry for Sabinene
Identification
- PhytoHub ID
- PHUB000083
- Name
- Sabinene
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 136.238
- Monoisotopic Mass
- 136.125200515
- Chemical Formula
- C10H16
- IUPAC Name
- (1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
- InChI Key
- NDVASEGYNIMXJL-NXEZZACHSA-N
- InChI Identifier
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1
- SMILES
CC(C)[C@@]12C[C@@H]1C(=C)CC2
- Structure
Structure for Sabinene
Calculated Properties
- Solubility (ALOGPS)
- 6.40e-02 g/l
- LogS (ALOGPS)
- -3.33
- LogP (ALOGPS)
- 3.04
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 0.0
- Refractivity
- 43.64979999999999
- Polarizability
- 17.23148571485175
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- 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
- ChEBI
- 50029
- PubChem
- 10887971
- MetaboLights
- MTBLC50029
- FooDB (Compounds)
- FDB014908
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 | |
|---|---|---|---|---|---|---|
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (66.084,0.098);(94.093,0.468);(122.103,0.516);(137.133,1.0) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (65.074,0.154);(66.082,0.471);(77.08,0.102);(94.092,1.0);(122.102,0.244);(137.133,0.059) | |
| LC-MS/MS | ESI- LC-Q-TOF/MS | Positive | medium | View Spectrum | (65.0739,0.153);(66.0822,0.47);(77.0802,0.101);(94.0918,0.999);(122.1019,0.243);(137.133,0.059) | |
| LC-MS/MS | ESI- LC-Q-TOF/MS | Positive | low | View Spectrum | (66.0836,0.098);(94.0934,0.467);(122.1034,0.515);(137.133,0.999) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Nutmeg | Herbs and Spices | Publications | Show | |
| Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Pepper | 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