metabolite

Showing entry for Dihydrogenistein

Identification

PhytoHub ID
PHUB001366
Name
Dihydrogenistein
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
272.256
Monoisotopic Mass
272.068473486
Chemical Formula
C15H12O5
IUPAC Name
dihydrogenistein
InChI Key
UQGVUYNHDKMLSE-UHFFFAOYNA-N
InChI Identifier
InChI=1/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
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
86.99000000000001
Refractivity
71.67650000000002
Polarizability
26.587664373107295
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.91625021070632
pKa (strongest acidic)
7.841130759303693
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
GenisteinPolyphenolsFlavonoidsIsoflavonesShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Genistein Dihydrogenisteinhumanurinehost metabolismNot AvailableNot AvailableC15H12O5272.068473486 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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