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Mudanpioside E

CAT: 0013-GTR19279145-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279145-01Size:1 mg
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Description
Mudanpioside E is a paeoniflorin-type monoterpenoid glycoside naturally found in plants of the Paeoniaceae family. Mudanpioside E is an orally active antiallergenic agent that inhibits IgE-mediated β-hexosaminidase release (IC50 = 40.34 μM) . Mudanpioside E can reverse the inhibitory effect of Xiao Qing Long Tang extract, a formulation containing Paeonia lactiflora root, on passive cutaneous anaphylaxis in mice, making it suitable for research on allergic diseases.
CAS Number
172705-25-8
Purity
99.62% (May vary between batches)
Smiles
C (OC (=O) C1=CC (OC) =C (O) C=C1) [C@@]23[C@@]4 (O[C@@H]5O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]5O) [C@@]6 (C) O[C@@]2 (O[C@@] (O) ([C@@]3 (C4) [H]) C6) [H]
Molecular Formula
C24H30O13
Molecular Weight
526.49
Notes
For research use only.

Chemical Information

Mudanpioside E

mudanpioside e has been reported in Paeonia obovata and Paeonia lactiflora with data available.

CAS Number172705-25-8
PubChem CID46882884
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,2S,3S,5S,6R,8S)-6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
Molecular FormulaC24H30O13
Molecular Weight526.5
XLogP-2
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity934
SMILES
C[C@]12C[C@@]3([C@H]4C[C@@]1([C@@]4([C@H](O2)O3)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC(=C(C=C6)O)OC)O)O)O)O
InChI
InChI=1S/C24H30O13/c1-21-8-23(31)14-6-24(21,22(14,9-25)20(36-21)37-23)35-19-17(29)16(28)15(27)13(34-19)7-33-18(30)10-3-4-11(26)12(5-10)32-2/h3-5,13-17,19-20,25-29,31H,6-9H2,1-2H3/t13-,14+,15-,16+,17-,19+,20-,21+,22+,23-,24-/m1/s1
InChIKey
OOVJYHFTGMUDDQ-PHWFTUJASA-N
Chemical Structure
2D Structure
2D structure of Mudanpioside E
CAS: 172705-25-8
CID: 46882884
Formula: C24H30O13
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP3-2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass526.16864101
Monoisotopic Mass526.16864101
Topological Polar Surface Area194 Ų
Heavy Atom Count37
Formal Charge0
Complexity934
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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