Compound	acuminatin
NPACT-Id	NPACT00218
IUPAC	(2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
Synonyms	-
PubChem Id	6442251
Class	Lignans
In-vitro anticancer activtiy	3 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	PLCG1 \| All \|
Properties	Physical Elemental Topological
InChi Key	ITFKWUHXYCXXFF-DTTGGASTSA-N
InChi	1S/C21H24O4/c1-6-7-14-10-16-13(2)20(25-21(16)19(11-14)24-5)15-8-9-17(22-3)18(12-15)23-4/h6-13,20H,1-5H3/b7-6+/t13-,20-/m0/s1
SMILES	O1[C@@H]([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc(OC)c(OC)cc1
SMART	[H]C(=C([H])C([H])([H])[H])C1=C([H])C2=C(O[C@]([H])(C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3[H])[C@@]2([H])C([H])([H])[H])C(OC([H])([H])[H])=C1[H]
CAS No.	150134-24-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C077860
	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