8-hydroxygeraniol
precursor
Showing entry for 8-hydroxygeraniol
Identification
- PhytoHub ID
- PHUB001845
- Name
- 8-hydroxygeraniol
- Systematic Name
- 2,6-dimethylocta-2,6-dien-1,8-diol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 170.252
- Monoisotopic Mass
- 170.13067982
- Chemical Formula
- C10H18O2
- IUPAC Name
- (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol
- InChI Key
- PREUOUJFXMCMSJ-TXFIJWAUSA-N
- InChI Identifier
InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
- SMILES
C\C(CO)=C/CC\C(C)=C\CO
- Structure
Structure for 8-hydroxygeraniol
Calculated Properties
- Solubility (ALOGPS)
- 3.04e+00 g/l
- LogS (ALOGPS)
- -1.75
- LogP (ALOGPS)
- 1.62
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 5
- Polar Surface Area
- 40.46
- Refractivity
- 52.9568
- Polarizability
- 20.614011321295564
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.0797068162582972
- pKa (strongest acidic)
- 16.15821115210554
- 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
- acyclic
Taxonomy as Metabolite
- Metabolite Family
- Terpenoid metabolites
- Metabolite Class
- Monoterpenoid metabolites
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Geraniol | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
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
- ["Linear monoterpenes", "diol", "monoterpenoid", "prenols"]
- Substituent Names
- ["Acyclic monoterpenoid", "Alcohol", "Aliphatic acyclic compound", "Fatty acyl", "Fatty alcohol", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol"]
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found