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
- 5-(4′-Hydroxyphenyl)-γ-valerolactone
- 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-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/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
- (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 | |
|---|---|---|---|---|
| (-)-Epicatechin | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
| (+)-Catechin | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
| Green tea Flavan-3-ols | Polyphenols | Flavonoids | Flavan-3-ols | Show Food Phytochemical |
Spectra from Phytohub
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