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Chemical structure of N-Nornuciferine

GC36754

N-Nornuciferine

Also known as (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

N-Nornuciferine is an aporphine alkaloid in lotus leaf that significantly inhibits CYP2D6 with IC50 and Ki of 3·76 and 2·34 μM, respectively

ChemicalCAS4846-19-9MW281.35FormulaC18H19NO2
CAS number
4846-19-9
Molecular weight
281.35
Formula
C18H19NO2
Solubility
DMSO ： 100 mg/mL (355·43 mM; Need ultrasonic)
InChIKey
QQKAHDMMPBQDAC-CQSZACIVSA-N
Catalogue number
GC36754
Brand
GLPBIO
Computed properties PubChem CID 12313579 · XLogP 3 · TPSA 30.5 Ų · H-bond donors 1
XLogP
3
TPSA
30.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21

SMILES COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)OC

Computed descriptors from PubChem (CID 12313579), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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