Cephaeline

Category	Influenza Virus
CAS	483-17-0
Description	Cephaeline is an alkaloid, which is found in Cephaelis ipecacuanha and other plant species. It can reduce Zika virus (ZIKV) NS1 protein expression in HEK293 cells with IC50 of 26.4 nM and viral titer in ZIKV-infected SNB-19 cells with IC50 of 3.11 nM. Cephaeline can also induce vomiting by stimulating the stomach lining and is found in commercial products such as syrup of ipecac.

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Synonyms	(-)-Cephaeline
Molecular Weight	466.6
Molecular Formula	C28H38N2O4
Canonical SMILES	CC[C@H]1CN2CCC(C=C(C(OC)=C3)OC)=C3[C@]2([H])C[C@@H]1C[C@@]4(C5=CC(OC)=C(C=C5CCN4)O)[H]
InChI	InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
InChIKey	DTGZHCFJNDAHEN-OZEXIGSWSA-N
Boiling Point	614.0 °C at 760 mmHg (Predicted)
Melting Point	98-100 °C
Flash Point	325.1°C
Purity	≥95%
Density	1.2 g/cm3 (Predicted)
Solubility	In vitro: 10 mM in DMSO
Appearance	Off-White to Dark Orange Solid
Storage	4°C, protect from light * In solvent : -80°C, 6 months -20°C, 1 month (protect from light)
Complexity	664
Exact Mass	466.28315770
Index Of Refraction	1.614
PSA	63.19000
Target	Influenza Virus; Filovirus
Vapor Pressure	1.15E-15mmHg at 25°C
XLogP3-AA	4.4