Chelerythrine

ScientificNameLabel

Chelerythrine
PHCD compound ID :	5163
Chemical Names :	Chelerythrine
Molecular Formula :	C21H18N1O4
Molecular Weight :	348.123583

More Details :

Names & Synonyms:	1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Smiles:	COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2
InChi :	InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
InChi Key :	InChIKey=LLEJIEBFSOEYIV-UHFFFAOYSA-N
PubChem ID :	2703

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	4	Ionization potential :	11.397047
Hydrogen bond donor count :	0	Electric dipole moment :	4.187
XLogP :	3.075	VDW volume :	290.13761
Molecular weight :	348.123583	HOMO-LUMO gap :	6.558000

Herb list :

Celandine, Swallowwort - Chelidonium majus L - مامیران

Refrences & Litretures:


819. Journal:'Chemistry and Ecology' Year:'2018' Volume:'34' Page:'582' DOI:'10.1080/02757540.2018.1462345' Title:'Chemical composition and antifungal activity of Chelidonium majus extracts – antagonistic action of chelerythrine and sanguinarine against Botrytis cinerea'

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