precursor

Showing entry for Dihydro-piceatannol

Identification

PhytoHub ID
PHUB001561
Name
Dihydro-piceatannol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
246.262
Monoisotopic Mass
246.089208931
Chemical Formula
C14H14O4
IUPAC Name
4-[2-(3,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
InChI Key
KTLRRKBJXAJHJD-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C14H14O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h3-8,15-18H,1-2H2
SMILES
OC1=CC(CCC2=CC(O)=C(O)C=C2)=CC(O)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.34e-01 g/l
LogS (ALOGPS)
-3.26
LogP (ALOGPS)
1.94
Hydrogen Acceptors
4
Hydrogen Donors
4
Rotatable Bond Count
3
Polar Surface Area
80.92
Refractivity
68.31980000000001
Polarizability
25.747232507871676
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.665352787509908
pKa (strongest acidic)
9.119767628149397
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", "Benzene and substituted derivatives", "Catechols", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols"]
External Descriptor Annotations
Not Available
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"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Red wineBeverages, Alcoholic PublicationsShow
White wineBeverages, Alcoholic 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

Back