5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy
Showing entry for 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy
Identification
- PhytoHub ID
- PHUB002145
- Name
- 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy
- Systematic Name
- 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 222.24
- Monoisotopic Mass
- 222.089208931
- Chemical Formula
- C12H14O4
- IUPAC Name
- Not Available
- InChI Key
- GCIFEQYZDROELP-SECBINFHSA-N
- InChI Identifier
InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3/t9-/m1/s1
- SMILES
COC1=CC(C[C@H]2CCC(=O)O2)=CC=C1O
- Structure
Structure for 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 3
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- -4.889146538856179
- pKa (strongest acidic)
- 9.943931319237853
- 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 | |
|---|---|---|---|---|
| Green tea Flavan-3-ols | 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)
No food source information available of its precursor(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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Green tea Flavan-3-ols | 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy | human | plasma | host-gut microbiota co-metabolite | Not Available | <20 nmol/L | Not Available | C12H14O4 | 222.089208931 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|