Amygdalin | MMP-AC0167

	Compound Name :	Amygdalin
	Compound Class :	Carbohydrates
	Synonyms :	amygdalin; 29883-15-6; (R)-Amygdalin; D-Amygdalin; (R)-Laenitrile;
	Compound Extracted from :	Amygdalin is extracted / reported from 1 Plant(s) of Melghat Flora as below MT127: Prunus persica (L.) Stokes;

	Molecular Formula :	C20H27NO11
	Molecular Weight :	457.4
	InChi Key :	XUCIJNAGGSZNQT-JHSLDZJXSA-N
	IUPAC :	(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
	InChi :	InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1
	Hydrogen Bond Donor count :	7
	Hydrogen Bond Acceptor count :	12
	Rotational Bond count :	7
	TPSA :	202
	LogP Value :	-2.7

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

	PubChem CID :	656516
	Drugbank ID :	-
	Super Natural :	-
	CTD :	D000678
	HIT :	-
	NCI-60 GI50 data :	29883-15-6

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/656516

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0167	HeLa	Cervix	>0.1 mM	-	-	-	18600055
MMP-AC0167	P-388	Haematopoietic and Lymphoid tissue	>0.1 mM	-	-	-	18600055
MMP-AC0167	A549	Lung	>0.1 mM	-	-	-	18600055

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0167	BAX	BCL2-associated X protein	581	Prostate Cancer	LNCaP	-	-	-	-	After treatment with amygdalin at concentrations of 0.1mg/ml, 1mg/ml, and 10mg/ml for 24 h on the DU145 cells the level of Bax mRNA was significantly increased to 2.25+0.25 (n=4,p<0.05), 2.42+0.27 (n=4,p<0.05), and 3.64+0.50 (n=4,p<0.05).	16880611
MMP-AC0167	BAX	BCL2-associated X protein	581	Prostate Cancer	DU-145	-	-	-	-	After treatment with amygdalin at concentrations of 0.1mg/ml, 1mg/ml, and 10mg/ml for 24 h on the DU145 cells, the level of Bax mRNA was significantly increased to 1.08±0.07 (n=4,p<0.05), 2.07±0.17(n=4,p<0.05), and 2.43±0.15(n=4,p<0.05), respectively.	16880611
MMP-AC0167	BCL2	B-cell CLL/lymphoma 2	596	Prostate Cancer	DU-145	-	-	-	-	After treatment with amygdalin at concentrations of 0.1mg/ml, 1mg/ml, and 10mg/ml for 24 h on the DU145 cells, the level of Bcl-2 mRNA was significantly decreased to 0.89±0.05 (n=4,p<0.05), 0.69±0.03 (n=4,p<0.05),and 0.21±0.03 (n=4,p<0.05), respectively.	16880611
MMP-AC0167	BCL2	B-cell CLL/lymphoma 2	596	Prostate Cancer	LNCaP	-	-	-	-	After treatment with amygdalin at concentrations of 0.1mg/ml, 1mg/ml, and 10mg/ml for 24 h on the LNCaP cells, the level of Bcl-2 mRNA was significantly decreased to 0.78±0.20 (n=4,p<0.05), 0.52±0.20 (n=4,p<0.05), and0.48±0.38 (n=4,p<0.05), respectively.	16880611

MMP-AC0167 : Amygdalin