Compound	Genistin
NPACT-Id	NPACT01214
IUPAC	-
Synonyms	Genistoside;Genistein 7-glucoside;Genisteol 7-monoglucoside;Genistein, 7-O-beta-D-glucoside;
PubChem Id	5281377
Class	Flavonoid
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	ZCOLJUOHXJRHDI-CMWLGVBASA-N
InChi	1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
SMILES	O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1cc2occ(c(=O)c2c(O)c1)c1ccc(O)cc1)CO
SMART	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=C([H])C(O[H])=C2C1=O
CAS No.	529-59-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C040641
	HIT	C0345
	NCI-60 GI₅₀ data	529-59-9
Suppliers	ABI Chem, Ambinter, ChemMol, MolPort, R&D Chemicals, Sigma-Aldrich, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	Yes
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase