precursor

Showing entry for Genistein

Identification

PhytoHub ID
PHUB000225
Name
Genistein
Synonyms
  • 5,7,4'-Trihydroxyisoflavone
  • Genisteol
  • Prunetol
  • Sophoricol
CAS Number
Not Available
Average Mass
270.24
Monoisotopic Mass
270.052823422
Chemical Formula
C15H10O5
IUPAC Name
genistein
InChI Key
TZBJGXHYKVUXJN-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILES
OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Structure
MOLSDFPDBSMILESInChI

Calculated Properties

Solubility (ALOGPS)
1.23e-01 g/l
LogS (ALOGPS)
-3.34
LogP (ALOGPS)
3.04
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
86.99000000000001
Refractivity
71.68290000000002
Polarizability
26.58861830751393
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.345613136233476
pKa (strongest acidic)
6.5462698153602235
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Spectra

Record IDSourceDescriptionView
CE000011MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
CE000012MassBankLC-ESI-ITFT Spectrum - 45eV, unspecifiedView Spectra
CE000013MassBankLC-ESI-ITFT Spectrum - 55eV, unspecifiedView Spectra
CE000014MassBankLC-ESI-ITFT Spectrum - -, unspecifiedView Spectra
OUF00238MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PB000881MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB000882MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB000884MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
PB000885MassBankLC-ESI-QTOF Spectrum - 55 eV, unspecifiedView Spectra
PB005712MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
PB005713MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB005714MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
PB005715MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB005721MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
PR040019MassBankLC-ESI-QTOF Spectrum - 30 eV, [M-H]-View Spectra
PR040020MassBankLC-ESI-QTOF Spectrum - 30 eV, [M+H]+View Spectra
PR040021MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+View Spectra
PS040001ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS040002ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS040003ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS040004ReSpectN/A Spectrum - 40, [M+H]+View Spectra
TY000136MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra
TY000137MassBankLC-ESI-ITTOF Spectrum - -, unspecifiedView Spectra
UF416201MassBankLC-ESI-ITFT Spectrum - 35, unspecifiedView Spectra
UF416202MassBankLC-ESI-ITFT Spectrum - 55, unspecifiedView Spectra
UF416203MassBankLC-ESI-ITFT Spectrum - 50, unspecifiedView Spectra
UF416204MassBankLC-ESI-ITFT Spectrum - 80, unspecifiedView Spectra
UF416251MassBankLC-ESI-ITFT Spectrum - 35, unspecifiedView Spectra
UF416252MassBankLC-ESI-ITFT Spectrum - 55, unspecifiedView Spectra
UF416253MassBankLC-ESI-ITFT Spectrum - 50, unspecifiedView Spectra
UF416254MassBankLC-ESI-ITFT Spectrum - 80, unspecifiedView Spectra

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Genistein DihydrogenisteinhumanurineC15H12O5272.068473494 Publications
Genistein Genistein 7-O-glucuronidehumanurineC21H18O11446.084911418 Publications
Genistein Genistein O-sulfateNot AvailableNot Available
Genistein 6'-Hydroxy-O-desmethylangolensinhumanurineC15H14O5274.084123558 Publications
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