Compound	Emarginatine G
NPACT-Id	NPACT00523
IUPAC	-
Synonyms	-
PubChem Id	6444298
Class	Alkaloids
In-vitro anticancer activity	6 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	RYWZQIMXAGJSGP-ACCUITESSA-N
InChi	1S/C45H52N2O19/c1-11-13-30(53)63-38-34(64-40(55)27-15-16-29(52)47(10)18-27)36-43(9,57)45-35(61-25(6)50)31(33(60-24(5)49)37(62-26(7)51)44(38,45)20-58-23(4)48)42(8,66-45)19-59-41(56)28-14-12-17-46-32(28)21(2)22(3)39(54)65-36/h11-18,21-22,31,33-38,57H,19-20H
SMILES	O1[C@@]23[C@@]4([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]([C@H]2OC(=O)C)[C@@]1(COC(=O)c1c(nccc1)[C@@H]([C@@H](C(=O)O[C@@H]([C@@]3(O)C)[C@H](OC(=O)c1cn(c(=O)cc1)C)[C@@H]4OC(=O)/C=C/C)C)C)C)COC(=O)C
SMART	[H]O[C@@]1(C([H])([H])[H])[C@]2([H])OC(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(C3=C(C([H])=C([H])C([H])=N3)C(=O)OC([H])([H])[C@@]3(O[C@@]11[C@]([H])(OC(=O)C([H])([H])[H])[C@@]3([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]1(C([H])([H])OC(=O)C([H])([H])[H])[C@@]([H])(OC(=O)C([H])=C(/[H])C([H])([H])[H])[C@@]2([H])OC(=O)C1=C([H])N(C([H])([H])[H])C(=O)C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]
CAS No.	155944-13-1
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C087110
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase