Piceatannol
precursor
Showing entry for Piceatannol
Identification
- PhytoHub ID
- PHUB000320
- Name
- Piceatannol
- Systematic Name
- Not Available
- Synonyms
- 3-hydroxyresveratol
- 3,4,3',5'-Tetrahydroxystilbene
- Astringinin
- CAS Number
- 10083-24-6
- Average Mass
- 244.246
- Monoisotopic Mass
- 244.073558866
- Chemical Formula
- C14H12O4
- IUPAC Name
- 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
- InChI Key
- CDRPUGZCRXZLFL-OWOJBTEDSA-N
- InChI Identifier
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
- SMILES
OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 9.70e-02 g/l
- LogS (ALOGPS)
- -3.40
- LogP (ALOGPS)
- 2.12
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 2
- Polar Surface Area
- 80.92
- Refractivity
- 69.4364
- Polarizability
- 25.444283237993353
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -6.17802613894337
- pKa (strongest acidic)
- 8.405793112852761
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 76156
- ChEBI
- 28814
- PubChem
- 667639
- Chemistry Dashboard
- DTXSID6040587
- KNApSAcK
- C00002895
- MetaboLights
- MTBLC28814
- Phenol-Explorer
- 582
- FooDB (Compounds)
- FDB023335
- PeakForestCompound
- 000280
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Stilbene metabolites
- 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 |
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", "Catechols", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
- External Descriptor Annotations
- ["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "stilbenol"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Catechol", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene", "Styrene"]
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Piceatannol | Rhapontigenin | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C15H14O4 | 258.089208931 | Publications | |||
Piceatannol | Isorhapontigenin | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C15H14O4 | 258.089208931 | Publications | |||
Piceatannol | Piceatannol-diglucuronide | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C26H28O16 | 596.1377 | Publications | |||
Piceatannol | Piceatannol-glucuronide | in vitro (human) rat | liver, plasma, urine | host metabolism | Not Available | Not Available | Not Available | C20H20O10 | 420.1056 | Publications | |||
Piceatannol | O-methyl piceatannol-monoglucuronide | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C21H22O10 | 434.1213 | Publications | |||
Piceatannol | O-methyl piceatannol-monosulfate | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C15H14O7S | 338.046 | Publications | |||
Piceatannol | piceatannol-disulfate | in vitro (human) | liver | host metabolism | Not Available | Not Available | Not Available | C14H12O10S2 | 403.9872 | Publications | |||
Piceatannol | piceatannol-sulfate | in vitro (human) | liver | host metabolism | Not Available | Not Available | Not Available | C14H12O7S | 324.0304 | Publications | |||
Resveratrol (trans-) | Piceatannol | in vitro (human) | lymphoblast | host metabolism | Not Available | Not Available | Not Available | C14H12O4 | 244.073558866 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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