Senecionine

Catalog Number	ACM130018-1
CAS Number	130-01-8
Structure
Synonyms	Aureine
IUPAC Name	(1R,4Z,6R,7R,17R)-4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Molecular Weight	335.39
Molecular Formula	C18H25NO5
Canonical SMILES	CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C
InChI	InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1
InChI Key	HKODIGSRFALUTA-JTLQZVBZSA-N
Purity	97%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	611
Exact Mass	335.17327290
Heavy Atom Count	24
Isomeric SMILES	C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
Monoisotopic Mass	335.17327290
Topological Polar Surface Area	76.1Ų

Custom Q&A

What is the chemical formula of senecionine?

The chemical formula of senecionine is C18H25NO5.

At what temperature does senecionine melt?

Senecionine melts at 236°C.

What is the predicted pka of senecionine?

The predicted pka of senecionine is 12.81.

In what solvents is senecionine soluble?

Senecionine is soluble in DMF, DMSO, Ethanol, and PBS.

What is the hazard code associated with senecionine?

Senecionine has a hazard code of T.

How is senecionine metabolized in the liver?

Senecionine is metabolized by the cytochrome P450 (CYP) isoform CYP3A in the liver to the detoxification product senecionine N-oxide.

What is the impact of senecionine on liver cells?

Senecionine induces mitochondrial depolarization and fragmentation in liver cells and increases apoptosis in a concentration-dependent manner.

What are some of the bile acids increased by senecionine-induced liver injury in rats?

Senecionine increases serum levels of bile acids including taurocholic acid, glycocholic acid, and deoxycholic acid in rats.

What is the potential effect of senecionine on hepatic drug metabolizing enzymes in rat cells?

Senecionine has the potential to affect hepatic drug metabolizing enzymes in rat cells.

What is the safety profile of senecionine?

Senecionine is poison by intravenous, intraperitoneal, and possibly other routes. It is an experimental teratogen with other experimental reproductive effects.

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