Identification

PhytoHub ID
PHUB001354
Name
Daidzein 4'-O-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
430.3616
Monoisotopic Mass
430.089996796
Chemical Formula
C21H18O10
IUPAC Name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxochromen-3-yl)phenoxy]oxane-2-carboxylic acid
InChI Key
ATUYSKUVHUPXBV-ZFORQUDYSA-N
InChI Identifier
InChI=1S/C21H18O10/c22-10-3-6-12-14(7-10)29-8-13(15(12)23)9-1-4-11(5-2-9)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=CC(O)=CC=C3C2=O)O[C@@H]([C@H]1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
8.48e-01 g/l
LogS (ALOGPS)
-2.71
LogP (ALOGPS)
1.06
Hydrogen Acceptors
10
Hydrogen Donors
5
Rotatable Bond Count
4
Polar Surface Area
162.98000000000002
Refractivity
101.71379999999995
Polarizability
41.220200461605614
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-3.6868267613833368
pKa (strongest acidic)
3.186248055808448
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Precursor Taxonomy

PrecursorFamilyClassSub-class
DaidzeinPolyphenolsFlavonoidsIsoflavonesShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
DaidzeinSoy beanSoy and soy productsShow
DaidzeinSoy milkSoy and soy productsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Daidzein Daidzein 4'-O-glucuronidehumanplasma, urineC21H18O10430.089996796 Publications
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