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

Precursor Taxonomy

PrecursorFamilyClassSub-class
TyrosolPolyphenolsPhenolic acidsMiscellaneous phenolic acidsShow 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

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Tyrosol Tyrosol 4-sulfatehumanurinehost metabolismC8H10O5S218.024894596 Publications
Back