precursor
Showing entry for Pterostilbene
Identification
- PhytoHub ID
- PHUB000323
- Name
- Pterostilbene
- Synonyms
- 3,5-Dimethyl-resveratrol
- CAS Number
- Not Available
- Average Mass
- 256.301
- Monoisotopic Mass
- 256.109944375
- Chemical Formula
- C16H16O3
- IUPAC Name
- pterostilbene
- InChI Key
- VLEUZFDZJKSGMX-ONEGZZNKSA-N
- InChI Identifier
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
- SMILES
COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(OC)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.10e-02 g/l
- LogS (ALOGPS)
- -4.37
- LogP (ALOGPS)
- 3.48
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 4
- Polar Surface Area
- 38.69
- Refractivity
- 76.42010000000002
- Polarizability
- 28.711777794043
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.537862421035583
- pKa (strongest acidic)
- 8.996137408896729
Taxonomy
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Blueberry | Fruit, Berries | Publications | Show | |
Coffee | Coffee and coffee products | Publications | Show | |
Deerberry | Fruit, Berries | Publications | Show | |
Grape juice | Beverages, Non-alcoholic | Publications | Show | |
Grape wine | Beverages, Alcoholic | Publications | Show | |
Green tea | Teas and herbal teas | Publications | Show | |
Red champagne | Beverages, Alcoholic | Publications | Show | |
Red wine | Beverages, Alcoholic | Publications | Show | |
White champagne | Beverages, Alcoholic | Publications | Show | |
White wine | Beverages, Alcoholic | Publications | Show |