Compound	Withaferin A
NPACT-Id	NPACT01018
IUPAC	-
Synonyms	4b,27-dihydroxy-1-oxo-5b,6b-epoxywitha-2,24-dienolide
PubChem Id	265237
Class	Steroids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	Yes
Targets	NFKB1 \| All \|
Properties	Physical Elemental Topological
InChi Key	DBRXOUCRJQVYJQ-CKNDUULBSA-N
InChi	1S/C28H38O6/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/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
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)C(=O)C=C[C@@H]3O
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])=C([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	005119482
	CTD	C009684
	HIT	C0015
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, 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