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Ampkinone

CAT: 0926-IZB08279-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-IZB08279-03Size:50 mg
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CAS Number
1233082-79-5
MDL Number
MFCD28143482
Smiles
O=C1N (C2=CC=C (C (C3=CC=CC=C3) =O) C=C2) C (C4=C1C=CC5=C4C (C) (C) OC6=C (O) C (OC) =CC=C65) =O
Molecular Formula
C31H23NO6
Molecular Weight
505.52 g/mol
Controlled
No

Chemical Information

Ampkinone

Ampkinone is an organic heterotetracyclic compound that is [1]benzopyrano[3,4-e]isoindole-1,3(2H,4H)-dione substituted by 4-benzoylphenyl, methyl, methyl, hydroxy, and methoxy groups at positions 2, 4, 4, 6 and 7, respectively. It is an indirect small-molecule activator of AMPK and a potential therapeutic agent for the treatment of obesity and type 2 diabetes. It has a role as a hypoglycemic agent, a protein kinase agonist and an anti-obesity agent. It is a member of benzophenones, an ether and an organic heterotetracyclic compound.

CAS Number1233082-79-5
PubChem CID49843507
IUPAC Name2-(4-benzoylphenyl)-6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione
Molecular FormulaC31H23NO6
Molecular Weight505.5
XLogP5.2
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity935
SMILES
CC1(C2=C(C=CC3=C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5)C6=C(O1)C(=C(C=C6)OC)O)C
InChI
InChI=1S/C31H23NO6/c1-31(2)25-20(21-15-16-23(37-3)27(34)28(21)38-31)13-14-22-24(25)30(36)32(29(22)35)19-11-9-18(10-12-19)26(33)17-7-5-4-6-8-17/h4-16,34H,1-3H3
InChIKey
BRRCHDIWBKOMEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ampkinone
CAS: 1233082-79-5
CID: 49843507
Formula: C31H23NO6
MW: 505.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight505.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass505.15253745
Monoisotopic Mass505.15253745
Topological Polar Surface Area93.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity935
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