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Chemical structure of Senecionine N-oxide

GC38989

Senecionine N-oxide

Also known as (1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Senecionine n-oxide is the primary product of pyrrolizidine alkaloid biosynthesis in root cultures of Senecio vulgaris· Senecionine N-oxide has anti-cancer activity

ChemicalCAS13268-67-2MW351.39FormulaC18H25NO6
CAS number
13268-67-2
Molecular weight
351.39
Formula
C18H25NO6
Solubility
Soluble in DMSO
InChIKey
PLGBHVNNYDZWGZ-GPUZEBNTSA-N
Catalogue number
GC38989
Brand
GLPBIO
Computed properties PubChem CID 5380876 · XLogP 0.5 · TPSA 90.9 Ų · H-bond donors 1
XLogP
0.5
TPSA
90.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
0
Heavy atoms
25

SMILES C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C

Computed descriptors from PubChem (CID 5380876), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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