Compound	Eupatorin
NPACT-Id	NPACT00571
IUPAC	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
Synonyms	Eupatorin;Eupatorine;3',5-Dihydroxy-4',6,7-trimethoxyflavone
PubChem Id	97214
Class	Flavonoid
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	CYP1A1 \| CYP1B1 \| All \|
Properties	Physical Elemental Topological
InChi Key	KLAOKWJLUQKWIF-UHFFFAOYSA-N
InChi	1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
SMILES	o1c2c(c(O)c(OC)c(OC)c2)c(=O)cc1c1cc(O)c(OC)cc1
SMART	[H]OC1=C(OC([H])([H])[H])C([H])=C([H])C(=C1[H])C1=C([H])C(=O)C2=C(O[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2O1
CAS No.	855-96-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C103110
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, Abbott Labs, ABI Chem, Ambinter, ChemFrog, MolPort, R&D Chemicals, ZINC,
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