Identification

PhytoHub ID
PHUB001373
Name
Tyrosol 4-sulfate
Synonyms
Not Available
CAS Number
Not Available
Average Mass
218.227
Monoisotopic Mass
218.02489412
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
20.269235077744582
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.4224113856573446
pKa (strongest acidic)
-2.002915678106377
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Precursor Taxonomy

PrecursorFamilyClassSub-class
TyrosolPolyphenolsMiscellaneous polyphenolsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
TyrosolBeerBeverages, AlcoholicShow
TyrosolOlive oilFats and oilsShow
TyrosolOlive, blackFruit, Drupes PublicationsShow
TyrosolOlive, greenFruit, Drupes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Tyrosol Tyrosol 4-sulfatehumanurineC8H10O5S218.02489412 Publications
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