precursor metabolite

Showing entry for Oxyresveratrol

Identification

PhytoHub ID
PHUB000333
Name
Oxyresveratrol
Synonyms
  • 2,3',4,5'-Tetrahydroxy-trans-stilbene
CAS Number
Not Available
Average Mass
244.246
Monoisotopic Mass
244.073558866
Chemical Formula
C14H12O4
IUPAC Name
oxyresveratrol
InChI Key
PDHAOJSHSJQANO-OWOJBTEDSA-N
InChI Identifier
InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
SMILES
OC1=CC(O)=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
1.02e-01 g/l
LogS (ALOGPS)
-3.38
LogP (ALOGPS)
2.06
Hydrogen Acceptors
4
Hydrogen Donors
4
Rotatable Bond Count
2
Polar Surface Area
80.92
Refractivity
69.4364
Polarizability
25.370234488903556
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.747849458670243
pKa (strongest acidic)
8.46626008517966
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
AlmondNuts PublicationsShow
JackfruitFruit, Tropical fruitsShow
MulberryFruit, Berries PublicationsShow
Red wineBeverages, Alcoholic PublicationsShow
Rosé wineBeverages, Alcoholic PublicationsShow
White mulberryFruit, Berries PublicationsShow
White wineBeverages, Alcoholic PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Mulberroside A Oxyresveratrolin vitro (human) in vitro (rat)gut microbiotaC14H12O4244.073558866 Publications
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