Compound	Limonin
NPACT-Id	NPACT00713
IUPAC	-
Synonyms	(4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione;Evodia fruit
PubChem Id	179651
Class	Flavonoid
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	BAX \| BCL2 \| CASP3 \| CYCS \| All \|
Properties	Physical Elemental Topological
InChi Key	KBDSLGBFQAGHBE-MSGMIQHVSA-N
InChi	1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
SMILES	O1[C@@]23[C@]4([C@@H]([C@]56[C@@H](CC4=O)C(O[C@H]5CC(=O)OC6)(C)C)CC[C@]2([C@@H](OC(=O)[C@@H]13)c1ccoc1)C)C
SMART	[H]C1=C([H])C(=C([H])O1)[C@]1([H])OC(=O)[C@@]2([H])O[C@]22[C@@]3(C(=O)C([H])([H])[C@@]4([H])[C@](O[C@@]5([H])C([H])([H])C(=O)OC([H])([H])[C@@]45[C@@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.	1180-71-8
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C001546
	HIT	C0132
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, Selleck Chemicals, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase