5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone
Showing entry for 5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone
Identification
- PhytoHub ID
- PHUB002235
- Name
- 5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone
- Systematic Name
- 5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 208.213
- Monoisotopic Mass
- 208.073558866
- Chemical Formula
- C11H12O4
- IUPAC Name
- Not Available
- InChI Key
- WAKFBGOXOFLZLZ-SNVBAGLBSA-N
- InChI Identifier
InChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2/t10-/m1/s1
- SMILES
OC1=CC(C[C@H]2CCC(=O)O2)=CC(O)=C1
- Structure
Structure for 5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 66.76
- Refractivity
- 53.3077
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- -5.671178184662789
- pKa (strongest acidic)
- 9.18696934572943
- 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 |
| (-)-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-(3′,5′-Dihydroxyphenyl)-γ-valerolactone | human | urine | gut microbiota metabolite | Not Available | Not Available | <1% | C11H12O4 | 208.073558866 | Detailed Intervention Studies | Publications | ||
| (-)-Epicatechin | 5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C11H12O4 | 208.073558866 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Red Grape pomace Flavan-3-ols | 5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone | Microbiota | Effect, clusters | Publications | ||
| (-)-Epicatechin | 5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone | Microbiota | Effect, clusters | Publications |