metabolite

Showing entry for Dihydroformononetin

Identification

PhytoHub ID
PHUB001364
Name
Dihydroformononetin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
270.284
Monoisotopic Mass
270.089208931
Chemical Formula
C16H14O4
IUPAC Name
7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
INYISIYHXQDCPK-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
SMILES
COC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.44e-02 g/l
LogS (ALOGPS)
-3.51
LogP (ALOGPS)
3.01
Hydrogen Acceptors
4
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
55.760000000000005
Refractivity
74.1779
Polarizability
27.789397238488732
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.562453771107251
pKa (strongest acidic)
7.783726898189255
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
FormononetinPolyphenolsFlavonoidsIsoflavonesShow Precursor

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Formononetin Dihydroformononetinhumanurinehost metabolismNot AvailableNot AvailableNot AvailableC16H14O4270.089208931 Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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