precursor metabolite

Showing entry for 8-Prenylnaringenin

Identification

PhytoHub ID
PHUB000373
Name
8-Prenylnaringenin
Synonyms
  • 5,7,4'-Trihydroxy-8-prenylflavanone
  • Isobavachin
CAS Number
Not Available
Average Mass
340.375
Monoisotopic Mass
340.131073744
Chemical Formula
C20H20O5
IUPAC Name
Not Available
InChI Key
LPEPZZAVFJPLNZ-SFHVURJKSA-N
InChI Identifier
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
SMILES
CC(C)=CCC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
86.99000000000001
Refractivity
95.53260000000002
Polarizability
35.073102711338265
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.960717116113241
pKa (strongest acidic)
7.690620053050339
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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
IsoxanthohumolBeerBeverages, Alcoholic PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Xanthohumol 8-PrenylnaringeninhumanplasmaC20H20O5340.131073744 Publications
Isoxanthohumol 8-Prenylnaringeninratplasma, urineC20H20O5340.131073744 Publications
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