Showing entry for Mono-demethylated pterostilbene
Identification
- PhytoHub ID
- PHUB001516
- Name
- Mono-demethylated pterostilbene
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 242.274
- Monoisotopic Mass
- 242.094294311
- Chemical Formula
- C15H14O3
- IUPAC Name
- resveratrol monomethyl ether
- InChI Key
- KUWZXOMQXYWKBS-NSCUHMNNSA-N
- InChI Identifier
InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
- SMILES
COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.41e-02 g/l
- LogS (ALOGPS)
- -4.00
- LogP (ALOGPS)
- 3.08
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 3
- Polar Surface Area
- 49.69
- Refractivity
- 71.93780000000001
- Polarizability
- 26.569004865120604
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.838664480653452
- pKa (strongest acidic)
- 8.635714115937514
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-demethylated pterostilbene | mouse | urine | C15H14O3 | 242.094294311 | Publications |