Isoquercetin
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Identity
Isoquercetin
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
PubChem CID: 5280804
Quercetin 3-O-beta-D-glucopyranoside is a quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, a histamine antagonist, a bone density conservation agent, an antipruritic drug, an osteogenesis regulator and a plant metabolite. It is a beta-D-glucoside, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside. It is functionally related to a beta-D-glucose. It is a conjugate acid of a quercetin 3-O-beta-D-glucopyranoside(1-).
2D Structure
Properties
C21H20O12
Molecular Formula
464.40
Molecular Weight
g/mol
464.0955
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
207
TPSA
May have limited oral absorption
8
H-Bond Donors
12
H-Bond Acceptors
758
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
IsoquercetinHirsutrinQuercetin 3-o-glucopyranoside3-GlucosylquercetinQuercetin 3-D-glucosideQuercetol 3-monoglucosideCONTIGOSIDE BQuercetin-3-O-glucopyranosideQuercetol 3-glucosideQuercetin 3-monoglucosideQuercetin 3-beta-glucosidequercetin glucosideQuercetin-3-glucoseQuercetin 3-beta-O-glucosideRonacare isoquercetin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Isoquercetin
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