5-(3'-Hydroxyphenyl)-gamma-valerolactone
Showing entry for 5-(3'-Hydroxyphenyl)-gamma-valerolactone
Identification
- PhytoHub ID
- PHUB001249
- Name
- 5-(3'-Hydroxyphenyl)-gamma-valerolactone
- Systematic Name
- 5-(3'-Hydroxyphenyl)-γ-valerolactone
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 192.214
- Monoisotopic Mass
- 192.078644246
- Chemical Formula
- C11H12O3
- IUPAC Name
- 5-[(3-hydroxyphenyl)methyl]oxolan-2-one
- InChI Key
- VYWFHBSBNKNWSB-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2
- SMILES
OC1=CC=CC(CC2CCC(=O)O2)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.14e+00 g/l
- LogS (ALOGPS)
- -2.23
- LogP (ALOGPS)
- 1.78
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 46.53
- Refractivity
- 51.326800000000006
- Polarizability
- 19.788608692535647
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.9643648283069695
- pKa (strongest acidic)
- 9.458154693249535
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavan-3-ols
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Procyanidin dimer B2 | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
(-)-Epicatechin | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
Cocoa Flavan-3-ols | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procyanidin dimer B2 | 5-(3'-Hydroxyphenyl)-gamma-valerolactone | in vitro (human) | Not Available | gut microbiota metabolite | Not Available | Not Available | Not Available | C11H12O3 | 192.078644246 | Publications | |||
(-)-Epicatechin | 5-(3'-Hydroxyphenyl)-gamma-valerolactone | in vitro (human) | Not Available | Not Available | Not Available | Not Available | Not Available | C11H12O3 | 192.078644246 | Publications | |||
Cocoa Flavan-3-ols | 5-(3'-Hydroxyphenyl)-gamma-valerolactone | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C11H12O3 | 192.078644246 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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