Showing entry for Mono-hydroxylated pterostilbene
Identification
- PhytoHub ID
- PHUB001519
- Name
- Mono-hydroxylated pterostilbene
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 272.3
- Monoisotopic Mass
- 272.104858995
- Chemical Formula
- C16H16O4
- IUPAC Name
- 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzene-1,2-diol
- InChI Key
- UQRBFXIUUDJHSN-ONEGZZNKSA-N
- InChI Identifier
InChI=1S/C16H16O4/c1-19-13-7-12(8-14(10-13)20-2)4-3-11-5-6-15(17)16(18)9-11/h3-10,17-18H,1-2H3/b4-3+
- SMILES
COC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(OC)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.15e-02 g/l
- LogS (ALOGPS)
- -4.10
- LogP (ALOGPS)
- 3.04
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 4
- Polar Surface Area
- 58.92
- Refractivity
- 78.40100000000001
- Polarizability
- 29.56894033741368
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.537862505178467
- pKa (strongest acidic)
- 8.762700155139864
External Links
No external links
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Pterostilbene | Polyphenols | Stilbenes | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Precursor | Food Source | Food Source Group | |||
---|---|---|---|---|---|
Pterostilbene | Blueberry | Fruit, Berries | Publications | Show | |
Pterostilbene | Coffee | Coffee and coffee products | Publications | Show | |
Pterostilbene | Deerberry | Fruit, Berries | Publications | Show | |
Pterostilbene | Grape juice | Beverages, Non-alcoholic | Publications | Show | |
Pterostilbene | Grape wine | Beverages, Alcoholic | Publications | Show | |
Pterostilbene | Green tea | Teas and herbal teas | Publications | Show | |
Pterostilbene | Red champagne | Beverages, Alcoholic | Publications | Show | |
Pterostilbene | Red wine | Beverages, Alcoholic | Publications | Show | |
Pterostilbene | White champagne | Beverages, Alcoholic | Publications | Show | |
Pterostilbene | White wine | Beverages, Alcoholic | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Pterostilbene | Mono-hydroxylated pterostilbene | mouse | urine | C16H16O4 | 272.104858995 | Publications |