a a

Compound	Purpuracenin
NPACT-Id	NPACT00888
IUPAC	3,5,6,7,8-pentamethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Synonyms	3,5,6,7,8,2',4',5'-Octamethoxyflavone
PubChem Id	340131
Class	Polyketides
In-vitro anticancer activtiy	6 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	DWKFMLSGCLXYER-UHFFFAOYSA-N
InChi	1S/C23H26O10/c1-25-12-10-14(27-3)13(26-2)9-11(12)17-20(29-5)16(24)15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-17/h9-10H,1-8H3
SMILES	o1c2c(c(OC)c(OC)c(OC)c2OC)c(=O)c(OC)c1c1c(OC)cc(OC)c(OC)c1
SMART	[H]C1=C(OC([H])([H])[H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C1=C(OC([H])([H])[H])C(=O)C2=C(O1)C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2OC([H])([H])[H]
CAS No.	79105-52-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C118554
	HIT	-
	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