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Isofraxoside

CAT: 0013-GTR19228554-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228554-05Size:5 mg
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Description
Isofraxoside (CAS 24778-11-8) is a bioactive coumarin glycoside used in life science research. It is employed in both in vitro and in vivo studies to investigate its potential antioxidant, anti-inflammatory, and neuroprotective properties.
CAS Number
24778-11-8
Smiles
COc1cc2ccc (=O) oc2c (O) c1O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C16H18O10
Molecular Weight
370.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isofraxoside

Isofraxoside has been reported in Tetradium glabrifolium, Haplophyllum obtusifolium, and Pelargonium sidoides with data available.

CAS Number24778-11-8
PubChem CID11508953
IUPAC Name8-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular FormulaC16H18O10
Molecular Weight370.31
XLogP-0.6
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity539
SMILES
COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)13(22)15(7)26-16-12(21)11(20)10(19)8(5-17)24-16/h2-4,8,10-12,16-17,19-22H,5H2,1H3/t8-,10-,11+,12-,16+/m1/s1
InChIKey
RVWWDDKOKZXKCJ-ZOLYHUHESA-N
Chemical Structure
2D Structure
2D structure of Isofraxoside
CAS: 24778-11-8
CID: 11508953
Formula: C16H18O10
MW: 370.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.31
XLogP3-0.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass370.08999677
Monoisotopic Mass370.08999677
Topological Polar Surface Area155 Ų
Heavy Atom Count26
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5790693Isofraxoside

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