Identification

PhytoHub ID
PHUB001366
Name
Dihydrogenistein
Synonyms
Not Available
CAS Number
Not Available
Average Mass
272.2528
Monoisotopic Mass
272.068473494
Chemical Formula
C15H12O5
IUPAC Name
dihydrogenistein
InChI Key
UQGVUYNHDKMLSE-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2
SMILES
OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.28e-01 g/l
LogS (ALOGPS)
-3.08
LogP (ALOGPS)
2.45
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
86.99000000000001
Refractivity
71.67650000000002
Polarizability
26.587664373167307
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.864851377500867
pKa (strongest acidic)
7.8952448344775
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Precursor Taxonomy

PrecursorFamilyClassSub-class
GenisteinPolyphenolsFlavonoidsIsoflavonesShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Genistein DihydrogenisteinhumanurineC15H12O5272.068473494 Publications
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