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Cornuside

CAT: 0013-GTR19159705-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19159705-01Size:1 g
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Description
Cornuside has immunomodulatory activity . Cornuside suppresses expression levels of cytokine-induced proinflammatory and adhesion molecules in the human endothelial cells. Cornuside can treat myocardial I/R and protect the liver from CCl4-induced acute hepatotoxicity, by reducing oxidative stress and suppressing inflammatory responses. Cornuside has anti-inflammatory activity by downregulations of iNOS and COX-2 due to NF-κB inhibition as well as the negative regulation of ERK1/2, p38, and JNK1/2 phosphorylations in RAW 264.7 cells. Cornuside has protective potential against cerebral ischemic injury, may be due to the suppression of intracellular Ca (2+) elevation and caspase-3 activity, and improvements in mitochondrial energy metabolism and antioxidant properties.
CAS Number
131189-57-6
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (184.34 mM)
Smiles
COC (=O) C1=COC (C (C1CCOC (=O) C2=CC (=C (C (=C2) O) O) O) C=C) OC3C (C (C (C (O3) CO) O) O) O
Molecular Formula
C24H30O14
Molecular Weight
542.49
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Cornuside

Cornuside has been reported in Phellodendron amurense and Cornus officinalis with data available.

CAS Number131189-57-6
PubChem CID131348
IUPAC Namemethyl (2R,3S,4R)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Molecular FormulaC24H30O14
Molecular Weight542.5
XLogP-0.2
Topological Polar Surface Area222
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity851
SMILES
COC(=O)C1=CO[C@@H]([C@H]([C@H]1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16+,18+,19-,20+,23+,24-/m0/s1
InChIKey
SMTKSCGLXONVGL-ZEIULZLQSA-N
Chemical Structure
2D Structure
2D structure of Cornuside
CAS: 131189-57-6
CID: 131348
Formula: C24H30O14
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP3-0.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass542.16355563
Monoisotopic Mass542.16355563
Topological Polar Surface Area222 Ų
Heavy Atom Count38
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M17939-01Cornuside
371305Cornuside discontinued
A14588-500Cornuside 500mg
HY-N0631RCornuside (Standard)
300103Cornuside I
A14588-5Cornuside 5mg
A14588-1Cornuside 1mg
A14588-100Cornuside 100mg
A14588-50Cornuside 50mg
A14588-10Cornuside 10mg

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