Identification

PhytoHub ID
PHUB001318
Name
Kaempferol 3-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
462.363
Monoisotopic Mass
462.07982602
Chemical Formula
C21H18O12
IUPAC Name
Not Available
InChI Key
FNTJVYCFNVUBOL-ZUGPOPFOSA-N
InChI Identifier
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
12
Hydrogen Donors
7
Rotatable Bond Count
4
Polar Surface Area
203.44
Refractivity
107.16199999999998
Polarizability
41.954681806613856
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-3.6868297480420305
pKa (strongest acidic)
2.7116346228792803
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Precursor Taxonomy

PrecursorFamilyClassSub-class
KaempferolPolyphenolsFlavonoidsFlavonolsShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
KaempferolBlack teaTeas and herbal teas PublicationsShow
KaempferolBroccoliVegetables, Cabbages PublicationsShow
KaempferolCommon cabbageVegetables, Cabbages PublicationsShow
KaempferolOnionVegetables, Onion-family PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Kaempferol Kaempferol 3-glucuronidehumanplasma, urineC21H18O12462.07982602 Publications
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