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
Similar Structures

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

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 IDSourceDescriptionView
JP000120MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000121MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000248MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000321MassBankEI-B Spectrum - -, [M]+*View Spectra
JP003419MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005514MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005515MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005792MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005799MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006595MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006609MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007383MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007542MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007553MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007562MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007633MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007634MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007722MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007933MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008375MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008377MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008386MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow
LicheeFruit, Tropical fruits PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Geraniol 8-carboxygeraniolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H16O3184.109944375
Geraniol Hildebrand's acidsNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H14O4198.089208931
Geraniol 3-hydroxycitronelic acidNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H18O3186.12559444
Geraniol Geranic acidNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H16O2168.115029755
Geraniol 8-hydroxygeraniolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H18O2170.13067982

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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