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Catalpol

CAT: 0013-GTR19162529-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162529-07Size:50 mg
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Description
Catalpol, an iridoid glycoside, has neuroprotective, anti-inflammatory, and anti-hepatitis virus effects. (In Vitro) :Catalpol (0.1 μg/mL; for 3 days) can induce neuronal differentiation in PC12 cells through activation of the intracellular signal transduction pathway, and promote neurite length. (In Vivo) :Catalpol (25-100 mg/kg; intraperitoneal injection; once) treatment clearly reduces blood urea nitrogen, serum creatinine levels and the expression of KIM-1 in renal ischemia/reperfusion-injury (IRI) mice. Catalpol markedly reduces the expression of PI3K, Akt and eNOS levels, and suppresses the TNF-α, IL-1β, IL-6 and IL-10 activities.
CAS Number
2415-24-9
Product Name Alternative
Catalpinoside | 7,8-epoxy Aucubin
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
[H][C@]1 ([C@H] (O) [C@@]2 ([H]) [C@]3 (CO) O2) [C@]3 ([H]) [C@H] (O[C@H]4[C@H] (O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O4) OC=C1
Molecular Formula
C15H22O10
Molecular Weight
362.33
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(2S,3R,4S,5S,6R) -2- (((1aS,1bS,2S,5aR,6S,6aS) -6-hydroxy-1a- (hydroxymethyl) -1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-2-yl) oxy) -6- (hydroxymethyl) tetrahydro-2H-pyran-3,4,5-triol

Chemical Information

Catalpol

Catalpol is an organic molecular entity. It has a role as a metabolite.

CAS Number2415-24-9
PubChem CID91520
IUPAC Name(2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC15H22O10
Molecular Weight362.33
XLogP-3.2
Topological Polar Surface Area162
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity542
SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
InChIKey
LHDWRKICQLTVDL-PZYDOOQISA-N
Chemical Structure
2D Structure
2D structure of Catalpol
CAS: 2415-24-9
CID: 91520
Formula: C15H22O10
MW: 362.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.33
XLogP3-3.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass362.12129689
Monoisotopic Mass362.12129689
Topological Polar Surface Area162 Ų
Heavy Atom Count25
Formal Charge0
Complexity542
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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