Compound	2,3-dihydrowithaferin A
NPACT-Id	NPACT00062
IUPAC	-
Synonyms	Withaferin A; 2,3-Dihydrowithaferin-A
PubChem Id	418033
Class	Steroids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	YRXCLNDPESBJHL-UHFFFAOYSA-N
InChi	1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3
SMILES	O1[C@]23[C@]([C@@H]4[C@H]([C@H]5[C@@]([C@H](CC5)[C@@H]([C@@H]5OC(=O)C(=C(C5)C)CO)C)(CC4)C)C[C@H]12)(C(=O)CC[C@@H]3O)C
SMART	[H]OC([H])([H])C1=C(C([H])([H])[H])C([H])([H])[C@@]([H])(OC1=O)[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])[C@]4([H])O[C@@]44[C@@]([H])(O[H])C([H])([H])C([H])([H])C(=O)[C@@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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