Geraniol
precursor
Showing entry for Geraniol
Identification
- PhytoHub ID
- PHUB000044
- Name
- Geraniol
- Systematic Name
- Not Available
- Synonyms
- Geraniol-beta
- Lemonol
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- (2E)-3,7-dimethylocta-2,6-dien-1-ol
- InChI Key
- GLZPCOQZEFWAFX-JXMROGBWSA-N
- InChI Identifier
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
- SMILES
CC(C)=CCC\C(C)=C\CO
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.37e+00 g/l
- LogS (ALOGPS)
- -2.05
- LogP (ALOGPS)
- 2.89
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 4
- Polar Surface Area
- 20.23
- Refractivity
- 51.1821
- Polarizability
- 19.385257533607376
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.2170474067293595
- pKa (strongest acidic)
- 16.330024218725743
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 17447
- ChEBI
- 29452
- PubChem
- 637566
- Chemistry Dashboard
- DTXSID8026727
- KNApSAcK
- C00000845
- MetaboLights
- MTBLC17447
- FooDB (Compounds)
- FDB013792
- PeakForestCompound
- 000039
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Monoterpenoids
- Direct Parent Name
- Acyclic monoterpenoids
- Alternative Parent Names
- ["Fatty alcohols", "Hydrocarbon derivatives", "Primary alcohols"]
- External Descriptor Annotations
- ["3,7-dimethylocta-2,6-dien-1-ol", "Acyclic monoterpenoids", "Linear monoterpenes", "monoterpenoid", "primary alcohol"]
- Substituent Names
- ["Acyclic monoterpenoid", "Alcohol", "Aliphatic acyclic compound", "Fatty acyl", "Fatty alcohol", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol"]
Spectra from Online Resources
Record ID | Source | Description | View |
---|---|---|---|
JP000120 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP000121 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP000248 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP000321 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP003419 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP005514 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP005515 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP005792 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP005799 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006595 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006609 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007383 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007542 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007553 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007562 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007633 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007634 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007722 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007933 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP008375 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP008377 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP008386 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Grape | Fruit, Berries | Publications | Show | |
Grape wine | Beverages, Alcoholic | Publications | Show | |
Lichee | Fruit, Tropical fruits | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Geraniol | 8-carboxygeraniol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C10H16O3 | 184.109944375 | ||||
Geraniol | Hildebrand's acids | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C10H14O4 | 198.089208931 | ||||
Geraniol | 3-hydroxycitronelic acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C10H18O3 | 186.12559444 | ||||
Geraniol | Geranic acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C10H16O2 | 168.115029755 | ||||
Geraniol | 8-hydroxygeraniol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C10H18O2 | 170.13067982 |
Inter-Individual Variations Metabolism
No data on inter-individual variations available