12-Hydroxyfarnesol
Showing entry for 12-Hydroxyfarnesol
Identification
- PhytoHub ID
- PHUB000939
- Name
- 12-Hydroxyfarnesol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 238.371
- Monoisotopic Mass
- 238.193280077
- Chemical Formula
- C15H26O2
- IUPAC Name
- (2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol
- InChI Key
- FLIKBVTXNBEPQQ-RDUMTQBOSA-N
- InChI Identifier
InChI=1S/C15H26O2/c1-13(7-5-9-15(3)12-17)6-4-8-14(2)10-11-16/h6,9-10,16-17H,4-5,7-8,11-12H2,1-3H3/b13-6+,14-10+,15-9+
- SMILES
C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CO
- Structure
Structure for 12-Hydroxyfarnesol
Calculated Properties
- Solubility (ALOGPS)
- 1.42e-01 g/l
- LogS (ALOGPS)
- -3.22
- LogP (ALOGPS)
- 3.52
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 8
- Polar Surface Area
- 40.46
- Refractivity
- 76.75939999999999
- Polarizability
- 29.64301993535738
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.0797068162575387
- pKa (strongest acidic)
- 16.158211152107278
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 83951
- PubChem
- 86583467
- MetaboLights
- MTBLC83951
- PeakForestCompound
- 000717
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Sesquiterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Farnesol | Terpenoids | Sesquiterpenoids | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Sesquiterpenoids
- Direct Parent Name
- Sesquiterpenoids
- Alternative Parent Names
- ["Fatty alcohols", "Hydrocarbon derivatives", "Primary alcohols"]
- External Descriptor Annotations
- ["farnesane sesquiterpenoid", "glycol", "polyprenol"]
- Substituent Names
- ["Alcohol", "Aliphatic acyclic compound", "Farsesane sesquiterpenoid", "Fatty acyl", "Fatty alcohol", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Sesquiterpenoid"]
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Farnesol | Apple | Fruit, Pomes | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Farnesol | 12-Hydroxyfarnesol | in vitro (human) | Not Available | unknown | Not Available | Not Available | Not Available | C15H26O2 | 238.193280077 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|