Malvidin | MMP-AC0160

	Compound Name :	Malvidin
	Compound Class :	Flavonoid
	Synonyms :	Malvidin; 10463-84-0; BRN 1691742; CHEBI:6674; 3',5'-Dimethoxy-3,4',5,7-tetrahydroxyflavylium acid anion;
	Compound Extracted from :	Malvidin is extracted / reported from 3 Plant(s) of Melghat Flora as below MT039: Bauhinia variegata L.; MT051: Syzygium cumini (L.) Skeels; MT052: Eugenia jambolana Lam.;

	Molecular Formula :	C17H15O7+
	Molecular Weight :	331.3
	InChi Key :	KZMACGJDUUWFCH-UHFFFAOYSA-O
	IUPAC :	2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol
	InChi :	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
	Hydrogen Bond Donor count :	4
	Hydrogen Bond Acceptor count :	6
	Rotational Bond count :	3
	TPSA :	100
	LogP Value :	2.83

	Lipinski Rule of Five :	Yes
	Ghose Filter :	Yes
	Veber Filter :	Yes
	Muegge Filter :	Yes

	PubChem CID :	159287
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C065861
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/23755222

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0160	HL-60	Haematopoietic and Lymphoid tissue	32 然	-	-	-	18460339

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0160	COX-1	cytochrome c oxidase subunit I	4512	Breast adenocarcinoma	MCF-7	-	-	-	-	Malvidin, which have methoxyl substituents in its B ring, showed 48.2% COX-1 inhibitory activities.	12925310
MMP-AC0160	COX-2	cytochrome c oxidase subunit II	4513	Breast adenocarcinoma	MCF-7	-	-	-	-	Malvidin, which have methoxyl substituents in their B ring, showed 64.8% COX-2 inhibitory activities.	12925310

MMP-AC0160 : Malvidin