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Chemical structure of 8-Keto-berberine

GC35205

8-Keto-berberine

Also known as 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one

8-Keto-berberine (compound 29) is a non-naturally occurring 11, 12-oxygenated protoberberine derived from naturally occurring 9, 10-oxygenated protoberberine

ChemicalCAS81397-08-2MW351.35FormulaC20H17NO5
CAS number
81397-08-2
Molecular weight
351.35
Formula
C20H17NO5
Solubility
Soluble in DMSO
InChIKey
KATKZQUZLDDMQJ-UHFFFAOYSA-N
Catalogue number
GC35205
Brand
GLPBIO
Computed properties PubChem CID 138911440 · XLogP 2.9 · TPSA 57.2 Ų · H-bond donors 0
XLogP
2.9
TPSA
57.2 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

SMILES COC1=C(C2=C(C=C1)C(=O)N3CCC4=CC5=C(C=C4C3=C2)OCO5)OC

Computed descriptors from PubChem (CID 138911440), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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