Piceid (trans-)
precursor
Showing entry for Piceid (trans-)
Identification
- PhytoHub ID
- PHUB000325
- Name
- Piceid (trans-)
- Systematic Name
- Not Available
- Synonyms
- Polydatin
- Resveratrol 3-O-glucoside
- CAS Number
- Not Available
- Average Mass
- 390.388
- Monoisotopic Mass
- 390.131467668
- Chemical Formula
- C20H22O8
- IUPAC Name
- (2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- InChI Key
- HSTZMXCBWJGKHG-WMHONMIKNA-N
- InChI Identifier
InChI=1/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/s2
- SMILES
OC[[email protected]]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[[email protected]](O)[C@@H](O)[C@@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.66e-01 g/l
- LogS (ALOGPS)
- -2.71
- LogP (ALOGPS)
- 0.65
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 5
- Polar Surface Area
- 139.84
- Refractivity
- 99.5999
- Polarizability
- 39.81077696913084
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.981092343730565
- pKa (strongest acidic)
- 8.602215116349766
- Number of Rings
- 3
- Rule of Five
- No
- 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
Taxonomy as Metabolite
- Metabolite Family
- Not Available
- Metabolite Class
- Not Available
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Almond | Nuts | Publications | Show | |
Apple | Fruit, Pomes | Publications | Show | |
Beer | Beverages, Alcoholic | Publications | Show | |
Chocolate | Cocoa and cocoa products | Publications | Show | |
Cocoa liquor | Cocoa and cocoa products | Publications | Show | |
Garden rhubarb | Vegetables, Other vegetables | Publications | Show | |
Itadori tea | Teas and herbal teas | Publications | Show | |
Lentil coat | Pulses and beans | Publications | Show | |
Lingonberry | Fruit, Berries | Publications | Show | |
Peanut | Nuts | Publications | Show | |
Pistachio | Nuts | Publications | Show | |
Pomace | Fruit, Other fruits | Publications | Show | |
Red grape juice | Beverages, Non-alcoholic | Publications | Show | |
Red wine | Beverages, Alcoholic | Publications | Show | |
Rosé wine | Beverages, Alcoholic | Publications | Show | |
Strawberry | Fruit, Berries | Publications | Show | |
Tomato | Vegetables, Fruit vegetables | Publications | Show | |
White grape juice | Beverages, Non-alcoholic | Publications | Show | |
White wine | Beverages, Alcoholic | Publications | Show |
Food Sources of its Food Phytochemical(s)
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Piceid (trans-) | Resveratrol (trans-) | in vitro (human) in vitro (rat) rat zebrafish | Caco-2 cells, gut microbiota, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | |||
Piceid (trans-) | Piceid (cis-) | zebrafish | Not Available | host metabolism | Not Available | Not Available | Not Available | C20H22O8 | 390.131467668 | Publications | |||
Piceid (trans-) | Dihydro-resveratrol | in vitro (rat) | gut microbiota | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O3 | 230.094294311 | Publications | |||
Piceid (trans-) | trans-Resveratrol 3-O-sulfate | human | LDL, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.03545928 | Publications | |||
Piceid (trans-) | resveratrol-3-O-glucuronide | human in vitro (human) rat zebrafish | Caco-2 cells, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.110732224 | Publications | |||
Piceid (trans-) | trans-resveratrol-5-O-glucuronide | in vitro (human) | liver | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.110732224 | Publications | |||
Piceid (trans-) | trans-Resveratrol-4′-O-glucuronide | human in vitro (human) | Caco-2 cells, liver, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O9 | 404.110732224 | Publications | |||
Piceid (trans-) | trans-Resveratrol-3,5-disulfate | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O9S2 | 387.992274314 | Publications | |||
Piceid (trans-) | trans-Resveratrol-3,4′-disulfate | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C14H12O9S2 | 387.992274314 | Publications | |||
Piceid (trans-) | Piceid-glucuronide | rat | urine | host metabolism | Not Available | Not Available | Not Available | C26H30O14 | 566.164 | ||||
Piceid (trans-) | Piceid-sulfate | rat | urine | host metabolism | Not Available | Not Available | Not Available | C20H22O11S | 470.088 | Publications | |||
Piceid (trans-) | trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C26H28O15 | 580.142820202 | Publications | |||
Piceid (trans-) | trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C26H28O15 | 580.142820202 | Publications | |||
Piceid (trans-) | dihydro-piceid | in vitro (rat) | gut microbiota | gut microbiota metabolite | Not Available | Not Available | Not Available | C20H24O8 | 392.147117733 | Publications | |||
Piceid (trans-) | resveratrol-sulfate | zebrafish | Not Available | host metabolism | Not Available | Not Available | Not Available | C14H12O6S | 308.0355 | Publications | |||
Piceid (trans-) | Dihydro-resveratrol sulfate | rat | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O6S | 310.0511 | Publications | |||
Resveratrol (trans-) | Piceid (trans-) | A. denitrificans - NCTR 774 (in vitro) B. cereus - NCTR 466 (in vitro) E. coli - ATCC 47004 (in vitro) human zebrafish | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H22O8 | 390.131467668 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available