Compound	Guggulsterone
NPACT-Id	NPACT00637
IUPAC	(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Synonyms	Guggulsterones E; trans-Guggulsterone
PubChem Id	6439929
Class	Steroids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	CCND1 \| CCNE1 \| CDK2 \| CDK6 \| HIF1A \| RB1 \| STAT3 \| All \|
Properties	Physical Elemental Topological
InChi Key	WDXRGPWQVHZTQJ-AUKWTSKRSA-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=CC)C
SMART	[H]C(C([H])([H])[H])=C1/C(=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.	95975-55-6
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C023617
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ChemMol, IS Chemical Technology, Therapeutic Targets Database,
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