precursor metabolite

Showing entry for 6-Prenylnaringenin

Identification

PhytoHub ID
PHUB000372
Name
6-Prenylnaringenin
Synonyms
  • 5,7,4'-Trihydroxy-6-prenylflavanone
CAS Number
Not Available
Average Mass
340.375
Monoisotopic Mass
340.131073744
Chemical Formula
C20H20O5
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
InChI Key
YHWNASRGLKJRJJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
SMILES
CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
1.53e-02 g/l
LogS (ALOGPS)
-4.35
LogP (ALOGPS)
3.17
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
86.99000000000001
Refractivity
95.53259999999999
Polarizability
37.067411487128794
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.950586506821382
pKa (strongest acidic)
7.674426138353391
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Miscellaneous flavonoids

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
XanthohumolBeerBeverages, Alcoholic PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Xanthohumol 6-PrenylnaringeninhumanplasmaC20H20O5340.131073744 Publications
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