Compound	Z-Guggulsterone
NPACT-Id	NPACT01032
IUPAC	(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Synonyms	E-Guggulsteron; Cis-Guggulsterone
PubChem Id	6450278
Class	Steroids
In-vitro anticancer activtiy	4 cancer cell lines
In-Vivo anticancer activtiy	Yes
Targets	AKT1 \| CCND1 \| CCNE1 \| CDK2 \| CDK4 \| CDK6 \| HIF1A \| KDR \| RB1 \| STAT3 \| All \|
Properties	Physical Elemental Topological
InChi Key	WDXRGPWQVHZTQJ-OSJVMJFVSA-N
InChi	1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
SMILES	O=C1C[C@H]2[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC[C@@]2(/C/1=C/C)C
SMART	[H]C(C([H])([H])[H])=C1C(=O)C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CAS No.	39025-23-5; 39025-24-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, 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