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Chemical structure of Epiberberine chloride

GC35996

Epiberberine chloride

Also known as 16,17-dimethoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene chloride

Epiberberine chloride is an alkaloid isolated from Coptis chinensis, acts as a potent AChE and BChE inhibitor, and a non-competitive BACE1 inhibitor, with IC50s of 1·07, 6·03 and 8·55 μM, respectively

ChemicalCAS889665-86-5MW371.81FormulaC20H18ClNO4
CAS number
889665-86-5
Molecular weight
371.81
Formula
C20H18ClNO4
Solubility
DMSO： 7·4 mg/mL (19·90 mM)
InChIKey
DGRBIBRPLDAHJH-UHFFFAOYSA-M
Catalogue number
GC35996
Brand
GLPBIO
Computed properties PubChem CID 71467079 · TPSA 40.8 Ų · H-bond donors 0 · H-bond acceptors 5
TPSA
40.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

SMILES COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC5=C(C4=C3)OCO5)OC.[Cl-]

Computed descriptors from PubChem (CID 71467079), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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