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Chemical structure of Guanfu base A

GC64448

Guanfu base A

Also known as [(3S,5R,9R,11R,17R,19S)-10-acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate

Guanfu base A is an antiarrhythmic alkaloid isolated from Aconitum coreanum and is a potent noncompetitive CYP2D6 inhibitor, with a Ki of 1·20 μM in human liver microsomes (HLMs) and a Ki of 0·37 μM for the human recombinant form (rCYP2D6)

ChemicalCAS1394-48-5MW429.51FormulaC24H31NO6
CAS number
1394-48-5
Molecular weight
429.51
Formula
C24H31NO6
Solubility
DMSO ： 100 mg/mL (232·82 mM; Need ultrasonic)
InChIKey
OGNUSOJAYIHLNS-DVBURBJDSA-N
Catalogue number
GC64448
Brand
GLPBIO
Computed properties PubChem CID 121446 · XLogP 0.6 · TPSA 96.3 Ų · H-bond donors 2
XLogP
0.6
TPSA
96.3 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
31

SMILES CC(=O)O[C@H]1C[C@]2(CN3C4[C@H]2C5(C1)C3[C@]6(C([C@H]7[C@H](C5C6(C4)CC7=C)O)OC(=O)C)O)C

Computed descriptors from PubChem (CID 121446), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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