Identification

PhytoHub ID
PHUB001361
Name
2,3-Dihydrobiochanin A
Synonyms
Not Available
CAS Number
Not Available
Average Mass
286.2794
Monoisotopic Mass
286.084123558
Chemical Formula
C16H14O5
IUPAC Name
dihydrobiochanin A
InChI Key
XPZQBSCTDLGDBP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3
SMILES
COC1=CC=C(C=C1)C1COC2=C(C(O)=CC(O)=C2)C1=O
Structure

Calculated Properties

Solubility (ALOGPS)
9.91e-02 g/l
LogS (ALOGPS)
-3.46
LogP (ALOGPS)
2.92
Hydrogen Acceptors
5
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
75.99000000000001
Refractivity
76.15880000000001
Polarizability
28.690424273014855
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.567069058524731
pKa (strongest acidic)
7.850929232882158
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Biochanin APolyphenolsFlavonoidsIsoflavonesShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Biochanin A 2,3-Dihydrobiochanin AhumanurineC16H14O5286.084123558 Publications
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