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Ononetin

CAT: 0013-GTR19216802-01Size: 1 gDry Ice: NoHazardous: No
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Description
Ononetin is a TRPM3 channel blocker (IC50: 0.3 μM) . (In Vitro) :Administration of 1-10 μM Ononetin completely and reversibly abrogates Ca2+ entry and ionic currents through recombinantly expressed TRPM3α2 and block the pregnenolone sulphate-inducible Ca2+ entry in primary cultures of mouse or rat dorsal root ganglia (DRG) neurones. (In Vivo) :Intraperitoneal injection of 10 mg/kg Ononetin completely reverses established Freund's Complete Adjuvant (FCA) -induced heat hypersensitivity, demonstrating that the loss of hypersensitivity in Trpm3-/- mice is unlikely to be caused by developmental or compensatory mechanisms.
CAS Number
487-49-0
Product Name Alternative
2',4'-Dihydroxy-2- (4-methoxyphenyl) acetophenone
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (387.19 mM)
Smiles
COc1ccc (CC (=O) c2ccc (O) cc2O) cc1
Molecular Formula
C15H14O4
Molecular Weight
258.273
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ononetin

1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone is a stilbenoid.

CAS Number487-49-0
PubChem CID259632
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP3.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity297
SMILES
COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
InChIKey
XHBZOAYMBBUURD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ononetin
CAS: 487-49-0
CID: 259632
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area66.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes