precursor
Showing entry for Piceid (cis-)
Identification
- PhytoHub ID
- PHUB000334
- Name
- Piceid (cis-)
- Synonyms
- cis-resveratrol 3-beta-glucoside
- Z-PICEID
- CAS Number
- Not Available
- Average Mass
- 390.388
- Monoisotopic Mass
- 390.131467668
- Chemical Formula
- C20H22O8
- IUPAC Name
- (2S,4S,5S)-2-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- InChI Key
- HSTZMXCBWJGKHG-MWQIQHPGSA-N
- InChI Identifier
InChI=1S/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-/m1/s1
- SMILES
[H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1
- 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
- 39.45445707552119
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.981092343730565
- pKa (strongest acidic)
- 9.101978168495853
External Links
No external links
Taxonomy
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Apple | Fruit, Pomes | Publications | Show | |
Beer | Beverages, Alcoholic | Publications | Show | |
Lingonberry | Fruit, Berries | Publications | Show | |
Pistachio | Nuts | 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 |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Piceid (cis-) | Resveratrol (cis-) | zebrafish | Not Available | C14H12O3 | 228.078644246 | Publications | ||
Resveratrol (cis-) | Piceid (cis-) | human zebrafish | LDL, plasma, urine | C20H22O8 | 390.131467668 | Publications | ||
Piceid (trans-) | Piceid (cis-) | zebrafish | Not Available | C20H22O8 | 390.131467668 | Publications |