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

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

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

Back