Compound	Digoxigenin
NPACT-Id	NPACT00506
IUPAC	3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-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	Lanadigenin;Digoxigenine
PubChem Id	15478
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	SHIBSTMRCDJXLN-KCZCNTNESA-N
InChi	1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,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)C[C@@H](O)[C@@]1([C@H](CC2)C1=CC(=O)OC1)C
SMART	[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]3([H])[C@]2([H])C([H])([H])[C@@]([H])(O[H])[C@]2(C([H])([H])[H])[C@@]([H])(C4=C([H])C(=O)OC4([H])[H])C([H])([H])C([H])([H])[C@]32O[H])C1([H])[H]
CAS No.	1672-46-4
Structure Download
Cross Refrence in other databases
	Super Natural	001672464
	CTD	D004076
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, MolPort, R&D Chemicals, TimTec, 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