Compound	Cnicin
NPACT-Id	NPACT00435
IUPAC	-
Synonyms	Centaurin; Cynisin
PubChem Id	6475844
Class	Terpenoids
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	BECN1 \| CASP3 \| NFKB1 \| PIM2 \| All \|
Properties	Physical Elemental Topological
InChi Key	ZTDFZLVUIVPZDU-HBVQLSENSA-N
InChi	1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5?,14-8-/t15?,16-,17+,18+/m0/s1
SMILES	O1[C@H]2[C@@H]([C@@H](OC(=O)C(=C)[C@H](O)CO)CC(=CCCC(=C2)CO)C)C(=C)C1=O
SMART	[H]OC([H])([H])C1=C([H])[C@@]2([H])OC(=O)C(=C(/[H])[H])[C@]2([H])[C@@]([H])(OC(=O)C(=C([H])[H])[C@]([H])(O[H])C([H])([H])O[H])C([H])([H])C(=C([H])C([H])([H])C1([H])[H])C([H])([H])[H]
CAS No.	24394-09-0
Structure Download
Cross Refrence in other databases
	Super Natural	024394090
	CTD	C012849
	HIT	C0190
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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