Hydroquinone sulfate
Showing entry for Hydroquinone sulfate
Identification
- PhytoHub ID
- PHUB001310
- Name
- Hydroquinone sulfate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 190.17
- Monoisotopic Mass
- 189.993594467
- Chemical Formula
- C6H6O5S
- IUPAC Name
- (4-hydroxyphenyl)oxidanesulfonic acid
- InChI Key
- FPXPQMOQWJZYBL-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)
- SMILES
OC1=CC=C(OS(O)(=O)=O)C=C1
- Structure
Structure for Hydroquinone sulfate
Calculated Properties
- Solubility (ALOGPS)
- 5.86e+00 g/l
- LogS (ALOGPS)
- -1.51
- LogP (ALOGPS)
- -0.88
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 83.83
- Refractivity
- 40.0116
- Polarizability
- 15.879416904230789
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.953792236729969
- pKa (strongest acidic)
- -2.4583959376494575
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 71062
- PubChem
- 161220
- MetaboLights
- MTBLC71062
- PeakForestCompound
- 000807
Taxonomy as Metabolite
- Family
- Polyphenols
- Class
- Polyphenol metabolites
- Sub-class
- Not Available
Taxonomy of its Precursor(s)
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Arbutin | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Show Precursor |
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
- ["1-hydroxy-2-unsubstituted benzenoids", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Phenoxy compounds", "Sulfuric acid monoesters"]
- External Descriptor Annotations
- ["aryl sulfate", "phenols"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenoxy compound", "Phenylsulfate", "Sulfate-ester", "Sulfuric acid ester", "Sulfuric acid monoester"]
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Precursor(s)
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Arbutin | Pear | Fruit, Pomes | Publications | Show | |
| Arbutin | Sweet marjoram | Herbs and Spices | Publications | Show | |
| Arbutin | Wheat germ | Cereals and cereal products | Publications | Show | |
| Arbutin | Whole wheat bread | Cereals and cereal products | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Arbutin | Hydroquinone sulfate | human | urine | Not Available | Not Available | Not Available | Not Available | C6H6O5S | 189.993594467 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available