Tyrosol 4-sulfate
Showing entry for Tyrosol 4-sulfate
Identification
- PhytoHub ID
- PHUB001373
- Name
- Tyrosol 4-sulfate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 218.22
- Monoisotopic Mass
- 218.024894596
- Chemical Formula
- C8H10O5S
- IUPAC Name
- [4-(2-hydroxyethyl)phenyl]oxidanesulfonic acid
- InChI Key
- VCRXMIQBQGCAAL-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C8H10O5S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4,9H,5-6H2,(H,10,11,12)
- SMILES
OCCC1=CC=C(OS(O)(=O)=O)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.34e+00 g/l
- LogS (ALOGPS)
- -1.97
- LogP (ALOGPS)
- -1.19
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 4
- Polar Surface Area
- 83.83
- Refractivity
- 49.601600000000005
- Polarizability
- 20.269235063349946
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.4224113856573446
- pKa (strongest acidic)
- -2.002915678106377
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Miscellaneous polyphenol metabolites
- Sub-class
- Oleuropein metabolites
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Tyrosol | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Organic sulfuric acids and derivatives
- Super-class
- Organic acids and derivatives
- Sub-class
- Arylsulfates
- Direct Parent Name
- Phenylsulfates
- Alternative Parent Names
- ["Hydrocarbon derivatives", "Organic oxides", "Phenoxy compounds", "Primary alcohols", "Sulfuric acid monoesters", "Tyrosols and derivatives"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Alcohol", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenoxy compound", "Phenylsulfate", "Primary alcohol", "Sulfate-ester", "Sulfuric acid ester", "Sulfuric acid monoester", "Tyrosol derivative"]
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 | |||
---|---|---|---|---|---|
Tyrosol | Beer | Beverages, Alcoholic | Show | ||
Tyrosol | Olive oil | Fats and oils | Show | ||
Tyrosol | Olive, black | Fruit, Drupes | Publications | Show | |
Tyrosol | Olive, green | Fruit, Drupes | 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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosol | Tyrosol 4-sulfate | human | plasma, urine | host metabolism | Not Available | 0.5-2µmol/L | Not Available | C8H10O5S | 218.024894596 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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