Compound	Bergenin
NPACT-Id	NPACT00320
IUPAC	(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Synonyms	bergenin ; Cuscutin
PubChem Id	66065
Class	Tannin
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	YWJXCIXBAKGUKZ-HJJNZUOJSA-N
InChi	1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
SMILES	O1[C@@H]2[C@H](OC(=O)c3c2c(O)c(OC)c(O)c3)[C@@H](O)[C@H](O)[C@H]1CO
SMART	[H]OC1=C(OC([H])([H])[H])C(O[H])=C2C(=C1[H])C(=O)O[C@@]1([H])[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	477-90-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	477-90-7
Suppliers	ABI Chem, Ambinter, IS Chemical Technology, MolPort, Selleck Chemicals, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	No
	Veber filter	No
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase