Piceatannol (cis-)
precursor
Showing entry for Piceatannol (cis-)
Identification
- PhytoHub ID
- PHUB000337
- Name
- Piceatannol (cis-)
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 244.246
- Monoisotopic Mass
- 244.073558866
- Chemical Formula
- C14H12O4
- IUPAC Name
- 4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
- InChI Key
- CDRPUGZCRXZLFL-UPHRSURJSA-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
[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C(O)=C1
- Structure
Structure for Piceatannol (cis-)
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
- 69.43640000000002
- Polarizability
- 24.30150905058958
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.67802613894337
- pKa (strongest acidic)
- 8.905793112852761
- Number of Rings
- 2
- Rule of Five
- Yes
- 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
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
- ["polyphenol", "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
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Red wine | Beverages, Alcoholic | Publications | Show | |
| Rosé wine | Beverages, Alcoholic | Publications | Show | |
| White wine | Beverages, Alcoholic | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available