Compound	Gitoxigenin
NPACT-Id	NPACT00621
IUPAC	3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Synonyms	-
PubChem Id	348482
Class	Steroids
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	PVAMXWLZJKTXFW-VQMOFDJESA-N
InChi	1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1
SMILES	O[C@@]12[C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@@H](O)CC4)C)CC[C@@]1([C@H]([C@@H](O)C2)C1=CC(=O)OC1)C
SMART	[H]O[C@@]1([H])C([H])([H])[C@]2(O[H])[C@]3([H])C([H])([H])C([H])([H])[C@]4([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]1([H])C1=C([H])C(=O)OC1([H])[H]
CAS No.	545-26-6
Structure Download
Cross Refrence in other databases
	Super Natural	000545266
	CTD	C007846
	HIT	-
	NCI-60 GI₅₀ data	545-26-6
Suppliers	ABI Chem, Ambinter, ChemExper Chemical Directory, MolPort, Sigma-Aldrich, 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