Compound	Linamarin
NPACT-Id	NPACT00715
IUPAC	2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile
Synonyms	Phaseolunatin
PubChem Id	11128
Class	Organic chemical
In-vitro anticancer activity	3 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	QLTCHMYAEJEXBT-ZEBDFXRSSA-N
InChi	1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
SMILES	O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)(C)C#N)CO
SMART	[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@](C#N)(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	554-35-8
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C005091
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	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