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Chemical structure of Roemerine

GC63175

Roemerine

Also known as (12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene

Roemerine, an aporphine alkaloid, isolated from the leaves of Annona senegalensis, functions by interacting with P-glycoprotein· Roemerine reverses the multidrug-resistance phenotype with cultured cells

ChemicalCAS548-08-3MW279.33FormulaC18H17NO2
CAS number
548-08-3
Molecular weight
279.33
Formula
C18H17NO2
InChIKey
JCTYWRARKVGOBK-CQSZACIVSA-N
Catalogue number
GC63175
Brand
GLPBIO
Computed properties PubChem CID 119204 · XLogP 3.3 · TPSA 21.7 Ų · H-bond donors 0
XLogP
3.3
TPSA
21.7 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
21

SMILES CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3

Computed descriptors from PubChem (CID 119204), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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