precursor

Showing entry for Isosakuranetin

Identification

PhytoHub ID
PHUB000382
Name
Isosakuranetin
Systematic Name
Not Available
Synonyms
  • 4'-Methylnaringenin
  • Citrofoliol
CAS Number
Not Available
Average Mass
286.283
Monoisotopic Mass
286.084123551
Chemical Formula
C16H14O5
IUPAC Name
5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
HMUJXQRRKBLVOO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3
SMILES
COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.79e-02 g/l
LogS (ALOGPS)
-3.51
LogP (ALOGPS)
2.95
Hydrogen Acceptors
5
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
75.99000000000001
Refractivity
75.77210000000001
Polarizability
29.42165300213141
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.582032172551624
pKa (strongest acidic)
7.866812009334595
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra from Online Resources

Record IDSourceDescriptionView
PS085001ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS085002ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS085003ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS085004ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS085005ReSpectN/A Spectrum - 50, [M+H]+View Spectra
PS085006ReSpectN/A Spectrum - 60, [M+H]+View Spectra

Food Sources

No food source information available

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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