Piceid (cis-)
precursor
Showing entry for Piceid (cis-)
Identification
- PhytoHub ID
- PHUB000334
- Name
- Piceid (cis-)
- Systematic Name
- Not Available
- 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-[(1Z)-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)[[email protected]](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
- Number of Rings
- 3
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
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 (cis-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
Piceid (trans-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Stilbenes
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Stilbene glycosides
- Direct Parent Name
- Stilbene glycosides
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Acetals", "Hexoses", "Hydrocarbon derivatives", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Phenol ethers", "Phenolic glycosides", "Phenoxy compounds", "Polyols", "Primary alcohols", "Secondary alcohols", "Styrenes"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Acetal", "Alcohol", "Aromatic heteromonocyclic compound", "Benzenoid", "Glycosyl compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Monosaccharide", "O-glycosyl compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Phenol ether", "Phenolic glycoside", "Phenoxy compound", "Polyol", "Primary alcohol", "Secondary alcohol", "Stilbene glycoside", "Styrene"]
Spectra from Online Resources
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 |
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 (cis-) | Resveratrol (cis-) | zebrafish | Not Available | host metabolism | Not Available | Not Available | Not Available | C14H12O3 | 228.078644246 | Publications | |||
Resveratrol (cis-) | Piceid (cis-) | human zebrafish | LDL, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H22O8 | 390.131467668 | Publications | |||
Piceid (trans-) | Piceid (cis-) | zebrafish | Not Available | host metabolism | Not Available | Not Available | Not Available | C20H22O8 | 390.131467668 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available