Identification

PhytoHub ID
PHUB001108
Name
Homoeriodictyol 4'-O-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
478.406
Monoisotopic Mass
478.111126148
Chemical Formula
C22H22O12
IUPAC Name
5-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,6-trihydroxyoxane-2-carboxylic acid
InChI Key
QUQKBXQFNGNPRT-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C22H22O12/c1-31-14-4-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)2-3-12(14)33-20-18(27)17(26)19(21(28)29)34-22(20)30/h2-6,13,17-20,22-24,26-27,30H,7H2,1H3,(H,28,29)
SMILES
COC1=C(OC2C(O)OC(C(O)C2O)C(O)=O)C=CC(=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O
Structure

Calculated Properties

Solubility (ALOGPS)
1.34e+00 g/l
LogS (ALOGPS)
-2.55
LogP (ALOGPS)
0.61
Hydrogen Acceptors
12
Hydrogen Donors
6
Rotatable Bond Count
5
Polar Surface Area
192.44
Refractivity
109.76479999999997
Polarizability
46.03544726061858
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6988266422085756
pKa (strongest acidic)
2.976221009334557
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Precursor Taxonomy

PrecursorFamilyClassSub-class
HesperetinPolyphenolsFlavonoidsFlavanonesShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
HesperetinLemonFruit, CitrusShow
HesperetinLimeFruit, CitrusShow
HesperetinOrange juiceBeverages, Non-alcoholicShow
HesperetinSweet orangeFruit, CitrusShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Hesperetin Homoeriodictyol 4'-O-glucuronideratplasma (major)C22H22O12478.111126148 Publications
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