Identification

PhytoHub ID
PHUB001364
Name
Dihydroformononetin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
270.28
Monoisotopic Mass
270.089208936
Chemical Formula
C16H14O4
IUPAC Name
dihydroformononetin
InChI Key
INYISIYHXQDCPK-UHFFFAOYSA-N
InChI Identifier
InChI=1S/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

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
27.789397238488775
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.562453771114429
pKa (strongest acidic)
7.783726759495664
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Precursor Taxonomy

PrecursorFamilyClassSub-class
FormononetinPolyphenolsFlavonoidsIsoflavonesShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Formononetin DihydroformononetinhumanurineC16H14O4270.089208936 Publications
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