Compound	Natsudaidain
NPACT-Id	NPACT00801
IUPAC	2-(3,4-dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxychromen-4-one
Synonyms	-
PubChem Id	3084605
Class	Flavonoid
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	COX-2 \| MAPK1 \| TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	CCJBNIRSVUKABH-UHFFFAOYSA-N
InChi	1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-15(23)14(22)13-17(26-3)19(27-4)21(29-6)20(28-5)18(13)30-16/h7-9,23H,1-6H3
SMILES	o1c2c(c(OC)c(OC)c(OC)c2OC)c(=O)c(O)c1c1cc(OC)c(OC)cc1
SMART	[H]OC1=C(OC2=C(C1=O)C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2OC([H])([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.	35154-55-3?
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C092904
	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