Compound	Deguelin
NPACT-Id	NPACT00482
IUPAC	-
Synonyms	(-)-Deguelin
PubChem Id	606171
Class	Flavonoid
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	AKT1 \| BCL2 \| birc5a \| CASP3 \| HSPA4 \| PARP1 \| STAT3 \| STAT5B \| All \|
Properties	Physical Elemental Topological
InChi Key	ORDAZKGHSNRHTD-UHFFFAOYSA-N
InChi	1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3
SMILES	O1[C@@H]2[C@@H](c3c(OC2)cc(OC)c(OC)c3)C(=O)c2c1c1c(OC(C=C1)(C)C)cc2
SMART	[H]C1=C([H])C2=C(O[C@@]3([H])C([H])([H])OC4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4[C@@]3([H])C2=O)C2=C1O[C@@](C([H])=C2[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C107676
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ChemFrog,
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