Compound	Oleandrin
NPACT-Id	NPACT00830
IUPAC	[(3S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Synonyms	Neriol;Foliandrin
PubChem Id	10057
Class	Steroids
In-vitro anticancer activity	10 cancer cell lines
In-Vivo anticancer activity	No
Targets	FGF2 \| JUN \| MAPK8 \| NFKB1 \| All \|
Properties	Physical Elemental Topological
InChi Key	JLPDBLFIVFSOCC-KRNKPDPWSA-N
InChi	1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20?,21-,22?,23?,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
SMILES	O[C@@]12[C@@H]3[C@@H]([C@@]4([C@@H](CC3)C[C@@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](OC)C3)C)CC4)C)CC[C@@]1([C@H]([C@@H](OC(=O)C)C2)C1=CC(=O)OC1)C
SMART	[H]O[C@]1([H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]4([H])[C@]3([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C5=C([H])C(=O)OC5([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@]43O[H])C2([H])[H])O[C@@]1([H])C([H])([H])[H]
CAS No.	465-16-7
Structure Download
Cross Refrence in other databases
	Super Natural	000465167
	CTD	C021065
	HIT	C0575
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ChemMol,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	Yes
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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