Betanin | MMP-AC0027

	Compound Name :	Betanin
	Compound Class :	Alkaloids
	Synonyms :	Betanin; 7659-95-2; NSC170989; NSC-170989;
	Compound Extracted from :	Betanin is extracted / reported from 1 Plant(s) of Melghat Flora as below MH239: Amaranthus spinosus L.;

	Molecular Formula :	C24H26N2O13
	Molecular Weight :	550.473
	InChi Key :	DHHFDKNIEVKVKS-UHFFFAOYSA-N
	IUPAC :	1-[(2Z)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
	InChi :	InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)
	Hydrogen Bond Donor count :	8
	Hydrogen Bond Acceptor count :	14
	Rotational Bond count :	6
	TPSA :	249
	LogP Value :	-0.9

	Lipinski Rule of Five :	No
	Ghose Filter :	No
	Veber Filter :	No
	Muegge Filter :	No

	PubChem CID :	54600918
	Drugbank ID :	-
	Super Natural :	007659952
	CTD :	C020228
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/21806060

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0027	K-562	Haematopoietic and Lymphoid tissue	40 µM	-	-	-	17482444

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0027	BCL2	B-cell CLL/lymphoma 2	596	Leukemia	K-562	-	-	-	-	Time-dependent decrease of Bcl-2 protein levels was observed after betanin treatmen.	17482444

MMP-AC0027 : Betanin