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Catalposide

CAT: 0013-GTR19181895-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181895-02Size:2 mg
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Description
Catalposide, a bioactive small molecule isolated from Catalpa ovata, is a potent inducer of heme oxygenase-1 (HO-1) . This activity underlies its documented antioxidant, anti-inflammatory, and anti-apoptotic properties, which have been investigated in both in vitro cellular models and in vivo studies for research in oxidative stress and inflammation-related fields.
CAS Number
6736-85-2
Product Name Alternative
Catalposide, (HO) -1, NO, NO Synthase, NF-kB, NFkB, NFκB, NF-κB, p65, NOSynthase, NOS, ILReceptor, Hydroxybenzoyl catalpol, HO-1, IL Receptor, ERK, PPAR, TNF-α
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Molecular Biology, Signal Transduction
Purity
99.82% (May vary between batches)
Solubility
DMSO:4.89 mg/mL (10.14 mM)
Smiles
[H][C@@]12O[C@]1 (CO) [C@@]1 ([H]) [C@H] (O[C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O) OC=C[C@@]1 ([H]) [C@@H]2OC (=O) c1ccc (O) cc1
Molecular Formula
C22H26O12
Molecular Weight
482.43
Storage Conditions
Store at low temperature, keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Catalposide

[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxybenzoate has been reported in Veronica kellereri, Catalpa ovata, and other organisms with data available.

CAS Number6736-85-2
PubChem CID93039
IUPAC Name[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxybenzoate
Molecular FormulaC22H26O12
Molecular Weight482.4
XLogP-1.3
Topological Polar Surface Area188
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity784
SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1
InChIKey
UXSACQOOWZMGSE-RWORTQBESA-N
Chemical Structure
2D Structure
2D structure of Catalposide
CAS: 6736-85-2
CID: 93039
Formula: C22H26O12
MW: 482.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.4
XLogP3-1.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass482.14242626
Monoisotopic Mass482.14242626
Topological Polar Surface Area188 Ų
Heavy Atom Count34
Formal Charge0
Complexity784
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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