Pterostilbene
precursor
Showing entry for Pterostilbene
Identification
- PhytoHub ID
- PHUB000323
- Name
- Pterostilbene
- Systematic Name
- Not Available
- Synonyms
- 3,5-Dimethyl-resveratrol
- CAS Number
- Not Available
- Average Mass
- 256.301
- Monoisotopic Mass
- 256.109944375
- Chemical Formula
- C16H16O3
- IUPAC Name
- 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
- 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
[H]\C(=C(\[H])C1=CC(OC)=CC(OC)=C1)C1=CC=C(O)C=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
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Stilbenes
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Stilbenes
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Dimethoxybenzenes", "Hydrocarbon derivatives", "Phenoxy compounds", "Styrenes"]
- External Descriptor Annotations
- ["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "stilbenol"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Benzenoid", "Dimethoxybenzene", "Ether", "Hydrocarbon derivative", "M-dimethoxybenzene", "Methoxybenzene", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenol ether", "Phenoxy compound", "Stilbene", "Styrene"]
Spectra from Online Resources
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 |
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pterostilbene | Pterostilbene-glucuronide | in vitro (rat) mouse | liver, urine | host metabolism | Not Available | Not Available | Not Available | C22H24O9 | 432.142032353 | Publications | |||
Pterostilbene | Pterostilbene sulfate | mouse rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C16H16O6S | 336.066759409 | Publications | |||
Pterostilbene | Mono-demethylated pterostilbene | mouse | urine | host metabolism | Not Available | Not Available | Not Available | C15H14O3 | 242.094294311 | Publications | |||
Pterostilbene | Mono-demethylated pterostilbene glucuronide | mouse | urine | host metabolism | Not Available | Not Available | Not Available | C21H22O9 | 418.126382288 | Publications | |||
Pterostilbene | Mono-demethylated pterostilbene sulfate | mouse | urine | host metabolism | Not Available | Not Available | Not Available | C15H14O6S | 322.051109345 | Publications | |||
Pterostilbene | Mono-hydroxylated pterostilbene | mouse | urine | host metabolism | Not Available | Not Available | Not Available | C16H16O4 | 272.104858995 | Publications | |||
Pterostilbene | Mono-hydroxylated pterostilbene glucuronide | mouse | urine | host metabolism | Not Available | Not Available | Not Available | C22H24O10 | 448.136946973 | Publications | |||
Pterostilbene | Mono-hydroxylated pterostilbene sulfate | mouse | urine | host metabolism | Not Available | Not Available | Not Available | C16H16O7S | 352.061674029 | Publications | |||
Pterostilbene | Mono-hydroxylated pterostilbene glucuronide sulfate | mouse | urine | host metabolism | Not Available | Not Available | Not Available | C22H24O13S | 528.0938 | Publications | |||
Pterostilbene | Pinostilbene | mouse | colon tissue, colonic content | host metabolism | Not Available | Not Available | Not Available | C15H14O3 | 242.094294311 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available