Compound	4'-demethoxy-3',4'-methylene-dioxy-methyl rocaglate
NPACT-Id	NPACT00154
IUPAC	methyl(1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Synonyms	-
PubChem Id	390507
Class	Lignans
In-vitro anticancer activity	11 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	SAGBWAVFZFVBBQ-GWNOIRNCSA-N
InChi	1S/C28H26O9/c1-32-17-12-20(33-2)24-21(13-17)37-28(16-9-10-18-19(11-16)36-14-35-18)23(15-7-5-4-6-8-15)22(26(30)34-3)25(29)27(24,28)31/h4-13,22-23,25,29,31H,14H2,1-3H3/t22-,23-,25-,27+,28+/m1/s1
SMILES	O1[C@@]2([C@@](O)([C@H](O)[C@@H]([C@H]2c2ccccc2)C(=O)OC)c2c1cc(OC)cc2OC)c1cc2OCOc2cc1
SMART	[#6]OC(=O)[C@H]1[C@@H](O)[C@@]2(O)C3=C(O[C@]2([C@@H]1C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1)C=C(O[#6])C=C3O[#6]
CAS No.	3590-93-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, AAA Chemistry,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase