5-(4’-hydroxyphenyl)-gamma-valerolactone
Showing entry for 5-(4’-hydroxyphenyl)-gamma-valerolactone
Identification
- PhytoHub ID
- PHUB001834
- Name
- 5-(4’-hydroxyphenyl)-gamma-valerolactone
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 192.214
- Monoisotopic Mass
- 192.078644246
- Chemical Formula
- C11H12O3
- IUPAC Name
- 5-[(4-hydroxyphenyl)methyl]oxolan-2-one
- InChI Key
- OXASBXALVLRTKO-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C11H12O3/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-4,10,12H,5-7H2
- SMILES
OC1=CC=C(CC2CCC(=O)O2)C=C1
- Structure
Structure for 5-(4’-hydroxyphenyl)-gamma-valerolactone
Calculated Properties
- Solubility (ALOGPS)
- 9.65e-01 g/l
- LogS (ALOGPS)
- -2.30
- LogP (ALOGPS)
- 1.79
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 46.53
- Refractivity
- 51.326800000000006
- Polarizability
- 19.902202467535933
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.958343887639902
- pKa (strongest acidic)
- 9.503501668075458
- 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
- Not Available
- Sub-class
- Not Available
Taxonomy of its Precursor(s)
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| (-)-Epicatechin | Polyphenols | Flavonoids | Flavanols | Show Precursor |
| (+)-Catechin | Polyphenols | Flavonoids | Flavanols | Show Precursor |
Spectra
No spectra information available
Food Sources
No food source information available
Food Sources of its Precursor(s)
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| (-)-Epicatechin | 5-(4’-hydroxyphenyl)-gamma-valerolactone | human | Not Available | gut microbiota metabolite | Not Available | Not Available | Not Available | C11H12O3 | 192.078644246 | Publications | |||
| (+)-Catechin | 5-(4’-hydroxyphenyl)-gamma-valerolactone | human | Not Available | gut microbiota metabolite | Not Available | Not Available | Not Available | C11H12O3 | 192.078644246 | Publications |
Inter-Individual Variations Metabolism
No inter-individual variations available