Products for Research Use Only
RegisterLogin

Suberogorgin

CAT: 0013-GTR19241729-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19241729-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Suberogorgin is a reversible and non-competitive acetylcholinesterase inhibitor that selectively binds the enzyme's peripheral anionic site. This small molecule is a valuable research tool for in vitro enzymatic studies and investigations into cholinergic signaling pathways.
CAS Number
110043-85-1
Smiles
O=C (O) C1=CC2 (C) CCC3C (C) CC (=O) C32C1C
Molecular Formula
C15H20O3
Molecular Weight
248.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Suberogorgin

isolated from Suberogorgia sp.; MF: C15-H20-O3; MW: 248.32; structure given in first source

CAS Number110043-85-1
PubChem CID176150
IUPAC Name(2S,5S,8S,9R)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity478
SMILES
C[C@@H]1CC(=O)C23[C@H]1CC[C@]2(C=C([C@H]3C)C(=O)O)C
InChI
InChI=1S/C15H20O3/c1-8-6-12(16)15-9(2)10(13(17)18)7-14(15,3)5-4-11(8)15/h7-9,11H,4-6H2,1-3H3,(H,17,18)/t8-,9-,11+,14+,15?/m1/s1
InChIKey
LFKSRWRSZVCLFJ-PBBZUXOKSA-N
Chemical Structure
2D Structure
2D structure of Suberogorgin
CAS: 110043-85-1
CID: 176150
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area54.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity478
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202803-01Suberogorgin

Popular Products