Puerarin

CAT: 1596-AR-P33668-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33668-06Size:250 Units

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CAS Number

3681-99-0

Synonyms

4H-1-Benzopyran-4-one, 8-β-D-glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl) -, Puerarin (6CI,7CI,8CI), 8-β-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl) -4H-1-benzopyran-4-one, Daidzein 8-C-glucoside

Molecular Formula

C21H20O9

Molecular Weight

416.38

API Name

Puerarin

Chemical Information

Puerarin

Puerarin is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 7 and 4' and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as an autophagy inducer, a ferroptosis inhibitor, an antioxidant, an antipyretic, an anti-inflammatory agent, a plant metabolite and a cardioprotective agent. It is a C-glycosyl compound and a hydroxyisoflavone. It is functionally related to an isoflavone. It is a conjugate acid of a puerarin(1-).

CAS Number	3681-99-0
PubChem CID	5281807
IUPAC Name	7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular Formula	C21H20O9
Molecular Weight	416.4
XLogP	0
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	659

SMILES

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

InChI

InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1

InChIKey

HKEAFJYKMMKDOR-VPRICQMDSA-N

Chemical Structure

2D Structure

CAS: 3681-99-0

CID: 5281807

Formula: C21H20O9

MW: 416.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	416.4
XLogP3	0
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	416.11073221
Monoisotopic Mass	416.11073221
Topological Polar Surface Area	157 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	659
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TB0181-1000	Puerarin

Puerarin

Chemical Information

Alternative Products

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