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Showing NP-Card for Tyrosol (NP0000958)

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Record Information
Version1.0
Created at2006-08-13 16:05:03 UTC
Updated at2022-11-28 18:10:15 UTC
NP-MRD IDNP0000958
Secondary Accession NumbersNone
Natural Product Identification
Common NameTyrosol
DescriptionTyrosol is a phenolic compound present in two of the traditional components of the Mediterranean diet: Wine and virgin olive oil. The presence of tyrosol has been described in red and white wines. Tyrosol is also present in vermouth and beer. Tyrosol has been shown to be able to exert antioxidant activity in vitro studies. Oxidation of low-density lipoprotein (LDL) appears to occur predominantly in arterial intimae in microdomains sequestered from antioxidants of plasma. The antioxidant content of the LDL particle is critical for its protection. The ability of tyrosol to bind human LDL has been reported. The bioavailability of tyrosol in humans from virgin olive oil in its natural form has been demonstrated. Urinary tyrosol increases, reaching a peak at 0-4 h after virgin olive oil administration. Men and women show a different pattern of urinary excretion of tyrosol. Moreover, tyrosol is absorbed in a dose-dependent manner after sustained and moderate doses of virgin olive oil. Tyrosol from wine or virgin olive oil could exert beneficial effects on human health in vivo if its biological properties are confirmed (PMID 15134375 ). Tyrosol is a microbial metabolite found in Bifidobacterium, Escherichia and Lactobacillus (PMID: 28393285 ).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000958 (Tyrosol)


  Mrv1652304272018112D          

 10 10  0  0  0  0            999 V2000
   -1.0154    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298    0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444   -0.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7299   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -0.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -0.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3009    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    0.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
Download

3D MOL for NP0000958 (Tyrosol)

HMDB0004284
     RDKit          3D
Tyrosol
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.6008    1.3348   -0.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919    0.0174   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384   -0.8370    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385   -0.4005    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752    0.5171    1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941    0.8980    0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3859    0.3689   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135    0.7832   -0.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775   -0.5492   -1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5463   -0.9263   -0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955    1.9174   -0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205   -0.3908   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372   -0.1487   -1.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703   -0.9321    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7147   -1.8602   -0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2913    0.9603    1.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255    1.6099    1.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3908    0.2343    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060   -0.9472   -1.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.6492   -1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END
Download

3D SDF for NP0000958 (Tyrosol)


  Mrv1652304272018112D          

 10 10  0  0  0  0            999 V2000
   -1.0154    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298    0.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444   -0.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7299   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -0.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -0.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3009    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    0.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000958

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCCC1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2

> <INCHI_KEY>
YCCILVSKPBXVIP-UHFFFAOYSA-N

> <FORMULA>
C8H10O2

> <MOLECULAR_WEIGHT>
138.1638

> <EXACT_MASS>
138.068079564

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.852126354348522

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(2-hydroxyethyl)phenol

> <ALOGPS_LOGP>
0.85

> <JCHEM_LOGP>
1.1909919319999998

> <ALOGPS_LOGS>
-0.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.974912510505817

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.20403264247904

> <JCHEM_PKA_STRONGEST_BASIC>
-2.4009234189336803

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
39.60980000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.53e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tyrosol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0000958 (Tyrosol)

HMDB0004284
     RDKit          3D
Tyrosol
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.6008    1.3348   -0.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919    0.0174   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384   -0.8370    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385   -0.4005    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752    0.5171    1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941    0.8980    0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3859    0.3689   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135    0.7832   -0.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775   -0.5492   -1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5463   -0.9263   -0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955    1.9174   -0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205   -0.3908   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372   -0.1487   -1.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703   -0.9321    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7147   -1.8602   -0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2913    0.9603    1.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255    1.6099    1.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3908    0.2343    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060   -0.9472   -1.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.6492   -1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END
Download

PDB for NP0000958 (Tyrosol)

HEADER    PROTEIN                                 27-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-APR-20         0                                  
HETATM    1  C   UNK     0      -1.895   0.624   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.229   1.394   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.563   0.624   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.563  -0.916   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.229  -1.686   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.895  -0.916   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -5.897  -1.686   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.562   1.394   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.772   0.624   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.105   1.394   0.000  0.00  0.00           O+0
CONECT    1    2    6    8                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4                                                            
CONECT    8    1    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for NP0000958 (Tyrosol)

COMPND    HMDB0004284
HETATM    1  O1  UNL     1       2.601   1.335  -0.171  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.592   0.017  -0.544  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.638  -0.837   0.255  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.238  -0.400   0.148  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.275   0.517   1.041  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.594   0.898   0.903  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.386   0.369  -0.113  1.00  0.00           C  
HETATM    8  O2  UNL     1      -3.713   0.783  -0.214  1.00  0.00           O  
HETATM    9  C7  UNL     1      -1.877  -0.549  -1.008  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.546  -0.926  -0.860  1.00  0.00           C  
HETATM   11  H1  UNL     1       2.396   1.917  -0.967  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.620  -0.391  -0.328  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.437  -0.149  -1.624  1.00  0.00           H  
HETATM   14  H4  UNL     1       1.970  -0.932   1.315  1.00  0.00           H  
HETATM   15  H5  UNL     1       1.715  -1.860  -0.171  1.00  0.00           H  
HETATM   16  H6  UNL     1       0.291   0.960   1.847  1.00  0.00           H  
HETATM   17  H7  UNL     1      -2.025   1.610   1.580  1.00  0.00           H  
HETATM   18  H8  UNL     1      -4.391   0.234   0.307  1.00  0.00           H  
HETATM   19  H9  UNL     1      -2.506  -0.947  -1.787  1.00  0.00           H  
HETATM   20  H10 UNL     1      -0.184  -1.649  -1.583  1.00  0.00           H  
CONECT    1    2   11
CONECT    2    3   12   13
CONECT    3    4   14   15
CONECT    4    5    5   10
CONECT    5    6   16
CONECT    6    7    7   17
CONECT    7    8    9
CONECT    8   18
CONECT    9   10   10   19
CONECT   10   20
END
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SMILES for NP0000958 (Tyrosol)

OCCC1=CC=C(O)C=C1
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INCHI for NP0000958 (Tyrosol)

InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
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View in JSmolView NMR Assignments
Synonyms
ValueSource
4-HydroxybenzeneethanolChEBI
4-HydroxyphenylethanolChEBI
p-Hydroxyphenethyl alcoholChEBI
beta-(4-Hydroxyphenyl)ethanolHMDB
Para-hydroxyphenylethanolHMDB
N-TyrosolHMDB
p-HydroxyphenylethanolHMDB
p-TyrosolHMDB
2-(4-Hydroxyphenyl)ethanolHMDB
2-(p-Hydroxyphenyl)ethanolHMDB
4-(2-Hydroxyethyl)phenolHMDB
4-Hydroxyphenethyl alcoholHMDB
4-Hydroxyphenylethyl alcoholHMDB
b-(4-Hydroxyphenyl)ethanolHMDB
b-(p-Hydroxyphenyl)ethanolHMDB
beta-(p-Hydroxyphenyl)ethanolHMDB
p-Hydroxyphenylethyl alcoholHMDB
p-ThyrosolHMDB
2-(4-Hydroxyphenyl)ethyl alcoholHMDB
p-(2-Hydroxyethyl)phenolHMDB
p-HPEAHMDB
Β-(4-hydroxyphenyl)ethanolHMDB
Β-(p-hydroxyphenyl)ethanolHMDB
2-(3',4'-Dihydroxyphenyl)ethanolHMDB
2-(4'-Hydroxyphenyl)ethanolHMDB
4-Hydroxyphenyl alcoholHMDB
TyrosolHMDB
Chemical FormulaC8H10O2
Average Mass138.1638 Da
Monoisotopic Mass138.06808 Da
IUPAC Name4-(2-hydroxyethyl)phenol
Traditional Nametyrosol
CAS Registry Number501-94-0
SMILES
OCCC1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
InChI KeyYCCILVSKPBXVIP-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Acacia polyacanthaLOTUS Database
Actinidia argutaLOTUS Database
Aglaia foveolataLOTUS Database
Alternaria tageticaLOTUS Database
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Arachis hypogaeaLOTUS Database
Arganis spinosa-
Azadirachta indicaKNApSAcK Database
Bison bisonFooDB
Bongardia chrysogonumLOTUS Database
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica napusLOTUS Database
Brassica napus var. napusFooDB
Bubalus bubalisFooDB
Bupleurum salicifoliumLOTUS Database
Camellia sinensisKNApSAcK Database
Capra aegagrus hircusFooDB
Carica papayaLOTUS Database
Casearia sylvestrisLOTUS Database
CervidaeFooDB
Cervus canadensisFooDB
Cestrum parquiLOTUS Database
Cistanche tubulosaLOTUS Database
Colletotrichum gloeosporioidesLOTUS Database
ColumbaFooDB
ColumbidaeFooDB
Coriandrum sativumLOTUS Database
Coriandrum sativum L.FooDB
Crocus sativusLOTUS Database
Croton chilensisKNApSAcK Database
Croton lechleriLOTUS Database
Cyclopia intermediaLOTUS Database
Datura metelPlant
Dromaius novaehollandiaeFooDB
Engelhardia roxburghianaKNApSAcK Database
Epichloe festucaeLOTUS Database
Epichloe typhinaLOTUS Database
Equus caballusFooDB
Fraxinus americanaKNApSAcK Database
Fraxinus chinensisLOTUS Database
Fraxinus floribundaLOTUS Database
Fraxinus griffithiiLOTUS Database
Fraxinus malacophyllaLOTUS Database
Fraxinus micranthaLOTUS Database
Fraxinus ornusLOTUS Database
Gallus gallusFooDB
Garcinia atroviridisLOTUS Database
Grosmannia crassivaginataLOTUS Database
Grosmannia huntiiLOTUS Database
Illicium verumLOTUS Database
Ipomoea nilLOTUS Database
Jasminum officinaleLOTUS Database
Lactarius deliciosusLOTUS Database
Lagopus mutaFooDB
LeporidaeFooDB
Leptoxyphium fumagoLOTUS Database
Lepus timidusFooDB
Ligustrum japonicumLOTUS Database
Ligustrum obtusifoliumLOTUS Database
Ligustrum vulgareLOTUS Database
Malus pumilaFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Nigrospora oryzaeLOTUS Database
Nigrospora sp. PSU-F18-
Numida meleagrisFooDB
OdocoileusFooDB
Olea europaeaKNApSAcK Database
OryctolagusFooDB
Ovis ariesFooDB
Parahancornia fasciculataLOTUS Database
Paraphaeosphaeria minitansLOTUS Database
Pedicularis artselaeriLOTUS Database
Penicillium chrysogenumLOTUS Database
Peperomia heyneanaLOTUS Database
Pestalotiopsis palmarumLOTUS Database
PhasianidaeFooDB
Phasianus colchicusFooDB
Phellodendron amurenseLOTUS Database
Phomopsis velataLOTUS Database
Picea glaucaLOTUS Database
Pichia membranifaciensLOTUS Database
Plantago lanceolataPlant
Plantago majorLOTUS Database
Prunus persicaLOTUS Database
Quercus phillyraeoidesLOTUS Database
Retiboletus ornatipesLOTUS Database
Rhinanthus angustifoliusLOTUS Database
Rhodiola crenulataLOTUS Database
Rhodiola crenulata (HOOK.f.et Thoms.) H.OHBAKNApSAcK Database
Rhodiola fastigiataLOTUS Database
Rhodiola gelidaLOTUS Database
Rhodiola heterodontaLOTUS Database
Rhodiola kirilowiiKNApSAcK Database
Rhodiola roseaKNApSAcK Database
Rhodiola sachalinensisKNApSAcK Database
Ribes nigrumLOTUS Database
Rubus idaeusFooDB
Sarcandra glabraLOTUS Database
Sargentodoxa cuneataLOTUS Database
Sinopodophyllum emodi (WALL.) YINGKNApSAcK Database
Stereospermum acuminatissimumLOTUS Database
Streptomyces albospinusLOTUS Database
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Syringa oblataLOTUS Database
Syringa reticulataLOTUS Database
Syringa vulgarisLOTUS Database
Taraxacum alpinumLOTUS Database
Thalictrum petaloideumLOTUS Database
Trichoderma koningiiLOTUS Database
Trichoderma virideLOTUS Database
Veronica persicaLOTUS Database
Vitis viniferaLOTUS Database
Vitis vinifera L.FooDB
Xanthoceras sorbifoliumLOTUS Database
Xylaria longipesLOTUS Database
Zyzzya fuliginosaLOTUS Database
Species Where Detected
Species NameSourceReference
Gloeophyllum sp.97022KNApSAcK Database
Penicillium sp.KNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tyrosols. These are organic aromatic compounds containing a phenethyl alcohol moiety that carries a hydroxyl group at the 4-position of the benzene group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassTyrosols and derivatives
Direct ParentTyrosols
Alternative Parents
Substituents
  • Tyrosol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point90 °CNot Available
Boiling Point308.00 to 311.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility123800 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.851 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
Water Solubility25.3 g/LALOGPS
logP0.85ALOGPS
logP1.19ChemAxon
logS-0.74ALOGPS
pKa (Strongest Acidic)10.2ChemAxon
pKa (Strongest Basic)-2.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area40.46 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity39.61 m³·mol⁻¹ChemAxon
Polarizability14.85 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0004284
DrugBank IDNot Available
Phenol Explorer Compound ID673
FoodDB IDFDB031233
KNApSAcK IDC00029515
Chemspider ID9964
KEGG Compound IDC06044
BioCyc IDCPD3O-4151
BiGG IDNot Available
Wikipedia LinkTyrosol
METLIN ID7044
PubChem Compound10393
PDB IDNot Available
ChEBI ID1879
Good Scents IDrw1203831
References
General References
  1. Quiles JL, Farquharson AJ, Simpson DK, Grant I, Wahle KW: Olive oil phenolics: effects on DNA oxidation and redox enzyme mRNA in prostate cells. Br J Nutr. 2002 Sep;88(3):225-34; discussion 223-4. [PubMed:12207832 ]
  2. Vissers MN, Zock PL, Roodenburg AJ, Leenen R, Katan MB: Olive oil phenols are absorbed in humans. J Nutr. 2002 Mar;132(3):409-17. [PubMed:11880564 ]
  3. Tsarbopoulos A, Gikas E, Papadopoulos N, Aligiannis N, Kafatos A: Simultaneous determination of oleuropein and its metabolites in plasma by high-performance liquid chromatography. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Feb 25;785(1):157-64. [PubMed:12535848 ]
  4. Miles EA, Zoubouli P, Calder PC: Differential anti-inflammatory effects of phenolic compounds from extra virgin olive oil identified in human whole blood cultures. Nutrition. 2005 Mar;21(3):389-94. [PubMed:15797683 ]
  5. Visioli F, Galli C, Bornet F, Mattei A, Patelli R, Galli G, Caruso D: Olive oil phenolics are dose-dependently absorbed in humans. FEBS Lett. 2000 Feb 25;468(2-3):159-60. [PubMed:10692578 ]
  6. Covas MI, Miro-Casas E, Fito M, Farre-Albadalejo M, Gimeno E, Marrugat J, De La Torre R: Bioavailability of tyrosol, an antioxidant phenolic compound present in wine and olive oil, in humans. Drugs Exp Clin Res. 2003;29(5-6):203-6. [PubMed:15134375 ]
  7. Rowland I, Gibson G, Heinken A, Scott K, Swann J, Thiele I, Tuohy K: Gut microbiota functions: metabolism of nutrients and other food components. Eur J Nutr. 2018 Feb;57(1):1-24. doi: 10.1007/s00394-017-1445-8. Epub 2017 Apr 9. [PubMed:28393285 ]