Compound	Diphyllin
NPACT-Id	NPACT00512
IUPAC	9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Synonyms	-
PubChem Id	100492
Class	Lignans
In-vitro anticancer activtiy	3 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	V-ATPases \| All \|
Properties	Physical Elemental Topological
InChi Key	VMEJANRODATDOF-UHFFFAOYSA-N
InChi	1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3
SMILES	O1Cc2c(c(c3c(c2O)cc(OC)c(OC)c3)c2cc3OCOc3cc2)C1=O
SMART	[#6]OC1=C(O[#6])C=C2C(=C1)C(O)=C1COC(=O)C1=C2C1=CC2=C(OCO2)C=C1
CAS No.	22055-22-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C010130
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AKos Consulting & Solutions, Ambinter, ASINEX, ChemBridge, ChemFrog, MolPort, 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