Pinosylvin
precursor
Showing entry for Pinosylvin
Identification
- PhytoHub ID
- PHUB000322
- Name
- Pinosylvin
- Systematic Name
- Not Available
- Synonyms
- 3,5-Dihydroxystilbene
- Stilbene-3,5-diol
- CAS Number
- Not Available
- Average Mass
- 212.248
- Monoisotopic Mass
- 212.083729626
- Chemical Formula
- C14H12O2
- IUPAC Name
- 5-[(1E)-2-phenylethenyl]benzene-1,3-diol
- InChI Key
- YCVPRTHEGLPYPB-VOTSOKGWSA-N
- InChI Identifier
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
- SMILES
OC1=CC(\C=C\C2=CC=CC=C2)=CC(O)=C1
- Structure
Structure for Pinosylvin
Calculated Properties
- Solubility (ALOGPS)
- 4.81e-02 g/l
- LogS (ALOGPS)
- -3.65
- LogP (ALOGPS)
- 3.28
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 40.46
- Refractivity
- 65.47460000000001
- Polarizability
- 23.503373573646886
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -6.178025722248195
- pKa (strongest acidic)
- 8.657352552168394
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- 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", "1-hydroxy-4-unsubstituted benzenoids", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
- External Descriptor Annotations
- ["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "pinosylvin"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene", "Styrene"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Grape | Fruit, Berries | Publications | Show | |
| Peanut | Nuts | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pinosylvin | Resveratrol (trans-) | rat | plasma | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | |||
| Pinosylvin | Resveratrol (cis-) | rat | plasma | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | |||
| Pinosylvin | Pinosylvin-glucuronide | rat | plasma | host metabolism | Not Available | Not Available | Not Available | C20H20O8 | 388.1158 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|