Identification

PhytoHub ID
PHUB000333
Name
Oxyresveratrol
Systematic Name
Not Available
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
[H]\C(=C(\[H])C1=C(O)C=C(O)C=C1)C1=CC(O)=CC(O)=C1
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)
-5.7478494586702435
pKa (strongest acidic)
8.46626008517966
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Taxonomy as Metabolite

Metabolite Family
Not Available
Metabolite Class
Not Available
Metabolite Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
Mulberroside APolyphenolsStilbenesNot AvailableShow Precursor

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", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
External Descriptor Annotations
["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "stilbenoid"]
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene", "Styrene"]

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

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Mulberroside A Oxyresveratrolin vitro (human) in vitro (rat)gut microbiotagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC14H12O4244.073558866 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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