Dihydro-resveratrol-3-O-sulfate
Showing entry for Dihydro-resveratrol-3-O-sulfate
Identification
- PhytoHub ID
- PHUB001414
- Name
- Dihydro-resveratrol-3-O-sulfate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 310.32
- Monoisotopic Mass
- 310.051109345
- Chemical Formula
- C14H14O6S
- IUPAC Name
- {3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid
- InChI Key
- KAVKAZLSONPCRU-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C14H14O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19)
- SMILES
OC1=CC=C(CCC2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 5
- Polar Surface Area
- 104.05999999999999
- Refractivity
- 76.3307
- Polarizability
- 30.155526772310864
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.442613450803563
- pKa (strongest acidic)
- -1.9974668494815457
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 84038
- PubChem
- 86583349
- MetaboLights
- MTBLC84038
- PeakForestCompound
- 000863
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Stilbene metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Dihydro-resveratrol | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Stilbenes
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Stilbenes
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Phenoxy compounds", "Phenylsulfates", "Sulfuric acid monoesters"]
- External Descriptor Annotations
- ["dihydroresveratrol sulfate"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Arylsulfate", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organic sulfuric acid or derivatives", "Organooxygen compound", "Phenol", "Phenoxy compound", "Phenylsulfate", "Stilbene", "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 Food Phytochemical(s)
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydro-resveratrol-3-O-sulfate | Curcumin | human | plasma | Not Available | Not Available | Not Available | Not Available | C21H20O6 | 368.125988364 | Detailed Intervention Studies | |||
Dihydro-resveratrol | Dihydro-resveratrol-3-O-sulfate | Not Available | Not Available | host metabolism | Not Available | Not Available | Not Available | C14H14O6S | 310.051109345 | ||||
Resveratrol (trans-) | Dihydro-resveratrol-3-O-sulfate | human | urine | host-gut microbiota co-metabolite | Not Available | Not Available | Not Available | C14H14O6S | 310.051109345 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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