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Mumeose K

CAT: 0804-HY-N13759Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N13759Size:1 mg
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Description
Mumeose K is the inhibitor for aldose reductase with an IC50 of 27 μM. Mumeose K exhibits potential anti-diabetic activity, and can be used in research about diabetes-related complication[1].
CAS Number
2132384-01-9
UNSPSC
12352005
Target
Aldose Reductase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/mumeose-k.html
Purity
90.0
Smiles
OC[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)OC(/C=C/C2=CC=C(C=C2)O)=O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(C)=O)OC(C)=O
Molecular Formula
C25H32O15
Molecular Weight
572.51
References & Citations
[1]Nakamura S, et al., Structures of acylated sucroses and an acylated flavonol glycoside and inhibitory effects of constituents on aldose reductase from the flower buds of Prunus mume. J Nat Med. 2013 Oct;67 (4) :799-806.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Mumeose K
CAS Number2132384-01-9
PubChem CID102198270
IUPAC Name[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC25H32O15
Molecular Weight572.5
XLogP-0.8
Topological Polar Surface Area228
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity903
SMILES
CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)/C=C/C3=CC=C(C=C3)O)CO)CO)O
InChI
InChI=1S/C25H32O15/c1-12(29)35-21-19(33)16(9-26)37-24(22(21)36-13(2)30)40-25(11-28)23(20(34)17(10-27)39-25)38-18(32)8-5-14-3-6-15(31)7-4-14/h3-8,16-17,19-24,26-28,31,33-34H,9-11H2,1-2H3/b8-5+/t16-,17-,19-,20-,21+,22-,23+,24-,25+/m1/s1
InChIKey
FZMDIDGEIHZDQW-ZVTFAFPYSA-N
Chemical Structure
2D Structure
2D structure of Mumeose K
CAS: 2132384-01-9
CID: 102198270
Formula: C25H32O15
MW: 572.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight572.5
XLogP3-0.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Exact Mass572.17412031
Monoisotopic Mass572.17412031
Topological Polar Surface Area228 Ų
Heavy Atom Count40
Formal Charge0
Complexity903
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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