7-O-Methylmangiferin

CAT: 0013-GTR19168823-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19168823-01Size:50 mg

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Description

7-O-Methylmangiferin is a xanthone compound derived from the rhizomes of Iris nigricans. This small molecule is utilized in research for its potential anti-inflammatory and antioxidant activities, as investigated in various in vitro and in vivo pharmacological studies.

CAS Number

31002-12-7

Product Name Alternative

Inhibit, Inhibitor, 7 O Methylmangiferin, 7OMethylmangiferin, 7-O-Methylmangiferin

Purity

99.79% (May vary between batches)

Solubility

DMSO:50 mg/mL (114.58 mM)

Smiles

OC1=C2C (OC=3C (C2=O) =CC (OC) =C (O) C3) =CC (O) =C1[C@@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O

Molecular Formula

C20H20O11

Molecular Weight

436.37

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,3,6-trihydroxy-7-methoxy-

1,3,6-trihydroxy-7-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one has been reported in Polygala tenuifolia, Iris nigricans, and other organisms with data available.

CAS Number	31002-12-7
PubChem CID	101916326
IUPAC Name	1,3,6-trihydroxy-7-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Molecular Formula	C20H20O11
Molecular Weight	436.4
XLogP	0
Topological Polar Surface Area	186
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Heavy Atom Count	31
Formal Charge	0
Complexity	661

SMILES

COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

InChI

InChI=1S/C20H20O11/c1-29-10-2-6-9(3-7(10)22)30-11-4-8(23)13(17(26)14(11)15(6)24)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12-,16-,18+,19-,20+/m1/s1

InChIKey

INBSFHNHCNZEOY-PQSJUMPYSA-N

Chemical Structure

2D Structure

CAS: 31002-12-7

CID: 101916326

Formula: C20H20O11

MW: 436.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	436.4
XLogP3	0
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Exact Mass	436.10056145
Monoisotopic Mass	436.10056145
Topological Polar Surface Area	186 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	661
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

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7-O-Methylmangiferin

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