5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate
Showing entry for 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate
Identification
- PhytoHub ID
- PHUB002185
- Name
- 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate
- Systematic Name
- 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 288.27
- Monoisotopic Mass
- 288.0303739
- Chemical Formula
- C11H12O7S
- IUPAC Name
- Not Available
- InChI Key
- CVGUPVHDNVLHLW-SECBINFHSA-N
- InChI Identifier
InChI=1S/C11H12O7S/c12-8-3-7(4-9-1-2-11(13)17-9)5-10(6-8)18-19(14,15)16/h3,5-6,9,12H,1-2,4H2,(H,14,15,16)/t9-/m1/s1
- SMILES
OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1
- Structure
Structure for 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Flavonoid metabolites
- Sub-class
- Phenylvalerolactones and phenylvaleric acids
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Red Grape pomace Flavan-3-ols | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
| Hazelnut Flavan-3-ols | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
| Cranberry Flavan-3-ols | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
| Black tea Flavan-3-ols | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
| (-)-Epicatechin | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Red Grape pomace Flavan-3-ols | 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate | human | urine | host-gut microbiota co-metabolite | Not Available | Not Available | <1% | C11H12O7S | 288.0303739 | Detailed Intervention Studies | Publications | ||
| Hazelnut Flavan-3-ols | 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate | human | urine | host-gut microbiota co-metabolite | Not Available | Not Available | 1-5% | C11H12O7S | 288.0303739 | Detailed Intervention Studies | Publications | ||
| Cranberry Flavan-3-ols | 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate | human | plasma, urine | host-gut microbiota co-metabolite | Not Available | <20 nmol/L | <1% | C11H12O7S | 288.0303739 | Detailed Intervention Studies | Publications | ||
| Black tea Flavan-3-ols | 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate | human | plasma, urine | host-gut microbiota co-metabolite | 5h-8h | <20 nmol/L | Not Available | C11H12O7S | 288.0303739 | Detailed Intervention Studies | Publications | ||
| (-)-Epicatechin | 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate | human | urine | host-gut microbiota co-metabolite | Not Available | Not Available | Not Available | C11H12O7S | 288.0303739 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Red Grape pomace Flavan-3-ols | 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate | Microbiota | Effect, clusters | Publications | ||
| Cranberry Flavan-3-ols | 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate | Microbiota | Effect, clusters | Publications | ||
| (-)-Epicatechin | 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate | Microbiota | Effect, clusters | Publications |