Compound	Malvidin-3-glucoside
NPACT-Id	NPACT00746
IUPAC	(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms	Enin;Malvidin 3-O-glucoside
PubChem Id	443652
Class	Flavonoid
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	Proteasome \| All \|
Properties	Physical Elemental Topological
InChi Key	PXUQTDZNOHRWLI-OXUVVOBNSA-O
InChi	1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1
SMILES	O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1c([o+]c2c(c1)c(O)cc(O)c2)c1cc(OC)c(O)c(OC)c1)CO
SMART	[#6]OC1=CC(=CC(O[#6])=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	007228786
	CTD	C458419
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase