precursor
Showing entry for Piceatannol
Identification
- PhytoHub ID
- PHUB000320
- Name
- Piceatannol
- Synonyms
- 3,4,3',5'-Tetrahydroxystilbene
- Astringinin
- CAS Number
- Not Available
- Average Mass
- 244.246
- Monoisotopic Mass
- 244.073558866
- Chemical Formula
- C14H12O4
- IUPAC Name
- 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-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(O)=C(O)C=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
- 25.458696611337054
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -6.178026138943371
- pKa (strongest acidic)
- 8.405793112852761
External Links
- ChEBI
- 76156
- ChEBI
- 28814
- PubChem
- 667639
- Chemistry Dashboard
- DTXSID6040587
- KNApSAcK
- C00002895
- MetaboLights
- MTBLC28814
- Phenol-Explorer
- 582
- FooDB (Compounds)
- FDB023335
Taxonomy
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Piceatannol | Rhapontigenin | rat | plasma, urine | C15H14O4 | 258.089208931 | Publications | ||
Piceatannol | Isorhapontigenin | rat | plasma, urine | C15H14O4 | 258.089208931 | Publications | ||
Piceatannol | Piceatannol-diglucuronide | rat | plasma, urine | C26H28O16 | 596.1377 | Publications | ||
Piceatannol | Piceatannol-glucuronide | in vitro (human) rat | liver, plasma, urine | C20H20O10 | 420.1056 | Publications | ||
Piceatannol | O-methyl piceatannol-monoglucuronide | rat | plasma, urine | C21H22O10 | 434.1213 | Publications | ||
Piceatannol | O-methyl piceatannol-monosulfate | rat | plasma, urine | C15H14O7S | 338.046 | Publications | ||
Piceatannol | piceatannol-disulfate | in vitro (human) | liver | C14H12O10S2 | 403.9872 | Publications | ||
Piceatannol | piceatannol-sulfate | in vitro (human) | liver | C14H12O7S | 324.0304 | Publications | ||
Resveratrol (trans-) | Piceatannol | in vitro (human) | lymphoblast | C14H12O4 | 244.073558866 | Publications |