Identification

PhytoHub ID
PHUB002549
Name
trans-Resveratrol
Systematic Name
Not Available
Synonyms
  • (E)-resveratrol
  • 3,5,4'-Trihydroxystilbene
CAS Number
501-36-0
Average Mass
228.247
Monoisotopic Mass
228.078644246
Chemical Formula
C14H12O3
IUPAC Name
5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
InChI Key
LUKBXSAWLPMMSZ-OWOJBTEDSA-N
InChI Identifier
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
SMILES
Oc1ccc(cc1)\C=C\c1cc(O)cc(O)c1
Structure

Calculated Properties

Solubility (ALOGPS)
6.88e-02 g/l
LogS (ALOGPS)
-3.52
LogP (ALOGPS)
2.57
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
2
Polar Surface Area
60.69
Refractivity
67.45550000000001
Polarizability
24.54276419250356
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.178025720766968
pKa (strongest acidic)
8.493489164415605
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", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
External Descriptor Annotations
["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "resveratrol"]
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 from Online Resources

No spectra information available

Food Sources

NameGroup
rhubarbVegetables, Other vegetables PublicationsShow

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

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