Linalool (trans-8-hydroxy-)
precursor
Showing entry for Linalool (trans-8-hydroxy-)
Identification
- PhytoHub ID
- PHUB000055
- Name
- Linalool (trans-8-hydroxy-)
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 170.252
- Monoisotopic Mass
- 170.13067982
- Chemical Formula
- C10H18O2
- IUPAC Name
- (2E)-2,6-dimethylocta-2,7-diene-1,6-diol
- InChI Key
- NSMIMJYEKVSYMT-RMKNXTFCSA-N
- InChI Identifier
InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+
- SMILES
[H]OC\C(C)=C\CCC(C)(O[H])C=C
- Structure
Structure for Linalool (trans-8-hydroxy-)
Calculated Properties
- Solubility (ALOGPS)
- 4.55e+00 g/l
- LogS (ALOGPS)
- -1.57
- LogP (ALOGPS)
- 1.35
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 5
- Polar Surface Area
- 40.46
- Refractivity
- 51.9813
- Polarizability
- 20.246831190528354
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.2856637071402215
- pKa (strongest acidic)
- 16.644023096128976
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
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 | |||
|---|---|---|---|---|
| Grape | Fruit, Berries | Publications | Show | |
| Grape wine | Beverages, 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