a a

Compound	Rocaglamide
NPACT-Id	NPACT00921
IUPAC	(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Synonyms	-
PubChem Id	331783
Class	Benzofuranoids
In-vitro anticancer activtiy	6 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	IFNG \| IL2 \| IL4 \| JUN \| NFATC1 \| TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	DAPAQENNNINUPW-IDAMAFBJSA-N
InChi	1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
SMILES	O1[C@@]2([C@@](O)([C@H](O)[C@@H]([C@H]2c2ccccc2)C(=O)N(C)C)c2c1cc(OC)cc2OC)c1ccc(OC)cc1
SMART	[H]O[C@]1([H])[C@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]2(OC3=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C3[C@]12O[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	084573160
	CTD	C107772
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Therapeutic Targets Database,
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