Hydroxytyrosol
precursor
Showing entry for Hydroxytyrosol
Identification
- PhytoHub ID
- PHUB001698
- Name
- Hydroxytyrosol
- Systematic Name
- 2-(3',4'-dihydroxyphenyl)ethanol
- Synonyms
- 2-(3,4-hydroxyphenyl)ethanol
- 3,4-DHPEA
- 3,4-dihydroxyphenethyl alcohol
- 3,4-dihydroxyphenylethanol
- 3'-hydroxytyrosol
- 4-(2-hydroxyethyl)-1,2-benzenediol
- DOPET
- homoprotocatechuyl alcohol
- CAS Number
- 10597-60-1
- Average Mass
- 154.165
- Monoisotopic Mass
- 154.062994182
- Chemical Formula
- C8H10O3
- IUPAC Name
- 4-(2-hydroxyethyl)benzene-1,2-diol
- InChI Key
- JUUBCHWRXWPFFH-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
- SMILES
OCCC1=CC=C(O)C(O)=C1
- Structure
Structure for Hydroxytyrosol
Calculated Properties
- Solubility (ALOGPS)
- 1.74e+01 g/l
- LogS (ALOGPS)
- -0.95
- LogP (ALOGPS)
- 0.13
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 60.69
- Refractivity
- 41.5907
- Polarizability
- 15.770162621032398
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.4099441681107265
- pKa (strongest acidic)
- 9.44823645704384
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- CHEBI:68889
- Phenol-Explorer
- 674
- PeakForestCompound
- 000811
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- Tyrosols and derivatives
- Direct Parent Name
- Tyrosols
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Catechols", "Hydrocarbon derivatives", "Primary alcohols"]
- External Descriptor Annotations
- ["catechols", "primary alcohol"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alcohol", "Aromatic homomonocyclic compound", "Catechol", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Tyrosol"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Olive, black | Fruit, Drupes | Publications | Show | |
| 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Hydroxytyrosol | 3-Hydroxybenzoic acid | human | plasma | gut microbiota metabolite | Not Available | 2-5µmol/L | Not Available | C7H6O3 | 138.031694053 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | 4'-Hydroxyphenylacetic acid | human | plasma | gut microbiota metabolite | Not Available | 5-20µmol/L | Not Available | C8H8O3 | 152.047344118 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | Homovanillic acid sulfate | human | plasma | unknown | Not Available | 0.5-2µmol/L | Not Available | C9H10O7S | 262.014723836 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | Hydroxytyrosol acetate sulfate | human | plasma | gut microbiota metabolite | Not Available | Not Available | Not Available | C13H15NO13S | 425.026410721 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | Hydroxytyrosol 3'-sulfate | human | urine | host metabolism | Not Available | Not Available | 1-5% | C8H10O6S | 234.019809216 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | Hydroxytyrosol 4'-sulfate | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C8H10O6S | 234.019809216 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | Hydroxytyrosol 4'-glucuronide | human | urine | host-gut microbiota co-metabolite | Not Available | Not Available | Not Available | C14H18O9 | 330.09508216 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | Hydroxytyrosol 3'-glucuronide | human | urine | host metabolism | Not Available | Not Available | Not Available | C14H18O9 | 330.09508216 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | Hydroxytyrosol 4′-glucuronide | human | urine | host metabolism | Not Available | Not Available | Not Available | C14H18O9 | 330.09508216 | Detailed Intervention Studies | Publications | ||
| Hydroxytyrosol | Homovanillic alcohol glucuronide | human | plasma | gut microbiota metabolite | 1h-3h | Not Available | Not Available | Publications | |||||
| Hydroxytyrosol | Hydroxytyrosol glucuronide | human | plasma, urine | host metabolism | <1h | 200-500nmol/L | 1-5% | Detailed Intervention Studies | Publications | ||||
| Hydroxytyrosol | Hydroxytyrosol sulfate | human | plasma | host metabolism | 1h-3h | 0.5-2µmol/L | Not Available | Detailed Intervention Studies | Publications | ||||
| Hydroxytyrosol | Hydroxytyrosol sulfoglucuronide | human | plasma | host metabolism | 1h-3h | Trace | Not Available | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|