Compound	Chelerythrine
NPACT-Id	NPACT00417
IUPAC	[6-[[(6S,7S)-6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
Synonyms	chelerythrine ;Toddalin;Toddaline;Helleritrine hydroxide;Chelerythrine hydroxide ;Chelerythrinium hydroxide;Chelerythrine aurichloride;1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium;
PubChem Id	2703
Class	Alkaloids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	PRKCA \| All \|
Properties	Physical Elemental Topological
InChi Key	LLEJIEBFSOEYIV-UHFFFAOYSA-N
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
SMILES	O1c2cc3c4[n+](cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C
SMART	[H]C1=C([H])C2=C3C([H])=C([H])C4=C([H])C5=C(OC([H])([H])O5)C([H])=C4C3=[N+](C([H])=C2C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])[H]
CAS No.	34316-15-9
Structure Download
Cross Refrence in other databases
	Super Natural	034316159
	CTD	C016299
	HIT	C0448
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ChemFrog, R&D Chemicals, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

Help

FAQs

Statistics

Tool

Contact