a a

Compound	Machilin A
NPACT-Id	NPACT00734
IUPAC	5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
Synonyms	-
PubChem Id	10359012
Class	Lignans
In-vitro anticancer activtiy	5 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	PLCG1 \| All \|
Properties	Physical Elemental Topological
InChi Key	QEFJURUMSHPMTC-OKILXGFUSA-N
InChi	1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t13-,14+
SMILES	O1c2cc(C[C@H]([C@H](Cc3cc4OCOc4cc3)C)C)ccc2OC1
SMART	[H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)C([H])([H])[C@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	000476288
	CTD	C539438
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase