Compound	Malvidin
NPACT-Id	NPACT00745
IUPAC	2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol
Synonyms	-
PubChem Id	159287
Class	Flavonoid
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	COX-1 \| COX-2 \| All \|
Properties	Physical Elemental Topological
InChi Key	KZMACGJDUUWFCH-UHFFFAOYSA-O
InChi	1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1
SMILES	[o+]1c(c2cc(OC)c(O)c(OC)c2)c(O)cc2c1cc(O)cc2O
SMART	[#6]OC1=CC(=CC(O[#6])=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O
CAS No.	10463-84-0
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C065861
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ZINC,
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