precursor

Showing entry for Piceatannol (cis-)

Identification

PhytoHub ID
PHUB000337
Name
Piceatannol (cis-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
244.246
Monoisotopic Mass
244.073558866
Chemical Formula
C14H12O4
IUPAC Name
4-[(Z)-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
MOLSDF3D-SDFPDBSMILESInChI View 3D 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
69.43640000000002
Polarizability
24.30150905058958
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.678026138943371
pKa (strongest acidic)
8.905793112852761
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Red wineBeverages, Alcoholic PublicationsShow
Rosé wineBeverages, Alcoholic PublicationsShow
White wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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