Senecionine; N-Oxide
AlkaPlorer ID: AK313322
Synonym: Senecionine N-oxide
IUPAC Name: 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
Structure
SMILES: CC=C1CC(C)C(C)(O)C(=O)OCC2=CC[N+]3([O-])CCC(OC1=O)C23
InChI: InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3
InChIKey: PLGBHVNNYDZWGZ-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 351.3990000000001
TPSA？: 95.89
MolLogP？: 1.2053999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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