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
- pinosylvin
- 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
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
External Links
- ChEBI
- 36010
- ChEBI
- 17323
- PubChem
- 5280457
- KNApSAcK
- C00002897
- MetaboLights
- MTBLC17323
Taxonomy as Precursor
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Grape | Fruit, Berries | Publications | Show | |
Peanut | Nuts | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pinosylvin | Pinosylvin-glucuronide | rat | plasma | host metabolism | Not Available | Not Available | C20H20O8 | 388.1158 | Publications | ||||
Pinosylvin | Resveratrol (trans-) | rat | plasma | host metabolism | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | ||||
Pinosylvin | Resveratrol (cis-) | rat | plasma | host metabolism | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications |
Inter-Individual Variations Metabolism
No inter-individual variations available