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Chemical structure of Anisatin

GC68659

Anisatin

Also known as (1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione

Anisatin is a toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum)· It is a non-competitive b>GABA antagonist and belongs to the class of convulsant toxins· Anisatin inhibits GABA-induced currents in a concentration-dependent manner, with an EC50 of approximately 1·10 μM

ChemicalCAS5230-87-5MW328.31FormulaC15H20O8
CAS number
5230-87-5
Molecular weight
328.31
Formula
C15H20O8
Solubility
DMSO : 0·33 mg/mL (1·01 mM; Need ultrasonic and warming)
InChIKey
GEVWHIDSUOMVRI-QWNPAUMXSA-N
Catalogue number
GC68659
Brand
GLPBIO
Computed properties PubChem CID 115121 · XLogP -1.9 · TPSA 134 Ų · H-bond donors 4
XLogP
-1.9
TPSA
134 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
0
Heavy atoms
23

SMILES C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O)O

Computed descriptors from PubChem (CID 115121), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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