Compound	Diosgenin
NPACT-Id	NPACT01192
IUPAC	-
Synonyms	Nitogenin;22alpha-Spirost-5-en-3beta-ol
PubChem Id	99474
Class	Saponin
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	AKT1 \| CASP3 \| CASP9 \| Fas \| MAPK8 \| MTOR \| PARP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	WQLVFSAGQJTQCK-VKROHFNGSA-N
InChi	1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES	O1[C@@H]2[C@@H]([C@@]3([C@H]([C@H]4[C@H](CC3)[C@@]3(C(=CC4)C[C@@H](O)CC3)C)C2)C)[C@@H]([C@@]21OC[C@@H](CC2)C)C
SMART	[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])[C@]5([H])O[C@@]6(OC([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]([H])(C([H])([H])[H])[C@]5([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
CAS No.	512-04-9
Structure Download
Cross Refrence in other databases
	Super Natural	000512049
	CTD	D004144
	HIT	C0330
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, MolPort, Oakwood Products, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TimTec,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase