Compound	Bruceoside C
NPACT-Id	NPACT00345
IUPAC	(4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
Synonyms	Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (6alpha,11beta,12alpha)-
PubChem Id	73122
Class	Terpenoids
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	TP53 \| All \|
Properties	Physical Elemental Topological
InChi Key	ASOOSZCOBHWYHJ-VRLQPTCESA-N
InChi	1S/C32H42O16/c1-11(2)6-16(35)46-24-18-12(3)23(48-28-21(39)20(38)19(37)14(9-33)45-28)13(34)8-30(18,4)25-22(40)26(41)32(29(42)43-5)15-7-17(36)47-27(24)31(15,25)10-44-32/h6,14-15,18-22,24-28,33,37-41H,7-10H2,1-5H3/t14-,15-,18-,19-,20+,21-,22-,24-,25-,26+,27-
SMILES	O1[C@]2([C@H]3[C@]4([C@@H]([C@@]5([C@@H]([C@@H](OC(=O)C=C(C)C)[C@H]4OC(=O)C3)C(=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C(=O)C5)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)OC
SMART	[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C(C([H])([H])[H])[C@]3([H])[C@@]([H])(OC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]4([H])OC(=O)C([H])([H])[C@@]5([H])[C@@]6(OC([H])([H])[C@]45[C@]([H])([C@@]([H])(O[H])[C@]6([H])O[H])[C@@]3(C([H])([H])[H])C([H])([H])C2=O)C(=O)OC([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C076182
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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

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Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

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