Silymarin | MMP-AC0100

	Compound Name :	Silymarin
	Compound Class :	Flavonoid
	Synonyms :	Silybin B; SILYMARIN; Milk thistle; 142797-34-0; UNII-853OHH1429;
	Compound Extracted from :	Silymarin is extracted / reported from 1 Plant(s) of Melghat Flora as below MC037: Passiflora foetida L. - fetid passionflower;

	Molecular Formula :	C25H22O10
	Molecular Weight :	482.4
	InChi Key :	SEBFKMXJBCUCAI-WAABAYLZSA-N
	IUPAC :	(2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
	InChi :	InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
	Hydrogen Bond Donor count :	5
	Hydrogen Bond Acceptor count :	10
	Rotational Bond count :	4
	TPSA :	155
	LogP Value :	2.4

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

	PubChem CID :	1548994
	Drugbank ID :	-
	Super Natural :	-
	CTD :	D012838
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/29753610

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0100	HL-60	Haematopoietic and Lymphoid tissue	>40 然	-	-	-	12628514
MMP-AC0100	Hepa 1c1c7	Liver	12 然	-	-	-	12628514

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0100	APAF1	apoptotic peptidase activating factor 1	317	preneoplastic epidermal keratinocytes	JB6 C141	-	-	-	-	Silymarin-induced apoptosis in JB6 C141 cells primarily mediated through a p53-dependent pathway, and p53-independent pathway seems to have a minor role. p53-dependent pathway involves the protein Apaf-1.	15713892
MMP-AC0100	BAX	BCL2-associated X protein	581	preneoplastic epidermal keratinocytes	JB6 C141	-	-	-	-	Silymarin-induced apoptosis in JB6 C141 cells primarily mediated through a p53-dependent pathway, and p53-independent pathway seems to have a minor role. p53-dependent pathway involves the proteins of Bcl-2 family.	15713892
MMP-AC0100	BCL2	B-cell CLL/lymphoma 2	596	preneoplastic epidermal keratinocytes	JB6 C141	-	-	-	-	Silymarin-induced apoptosis in JB6 C141 cells primarily mediated through a p53-dependent pathway, and p53-independent pathway seems to have a minor role. p53-dependent pathway involves the proteins of Bcl-2 family.	15713892
MMP-AC0100	BCL2L1	BCL2-like 1	598	preneoplastic epidermal keratinocytes	JB6 C141	-	-	-	-	Silymarin-induced apoptosis in JB6 C141 cells primarily mediated through a p53-dependent pathway, and p53-independent pathway seems to have a minor role. p53-dependent pathway involves the proteins of Bcl-2 family.	15713892
MMP-AC0100	CASP3	caspase 3, apoptosis-related cysteine peptidase	836	preneoplastic epidermal keratinocytes	JB6 C141	-	-	-	-	Silymarin-induced apoptosis in JB6 C141 cells primarily mediated through a p53-dependent pathway, and p53-independent pathway seems to have a minor role. p53-dependent pathway involves the activation of caspase-3.	15713892
MMP-AC0100	CYCS	cytochrome c	54205	preneoplastic epidermal keratinocytes	JB6 C141	-	-	-	-	Silymarin-induced apoptosis in JB6 C141 cells primarily mediated through a p53-dependent pathway, and p53-independent pathway seems to have a minor role. p53-dependent pathway involves the protein cytochrome c.	15713892
MMP-AC0100	PARP1	poly (ADP-ribose) polymerase 1	142	preneoplastic epidermal keratinocytes	JB6 C141	-	-	-	-	Silymarin-induced apoptosis in JB6 C141 cells primarily mediated through a p53-dependent pathway, and p53-independent pathway seems to have a minor role. p53-dependent pathway involves the activation of PARP.	15713892
MMP-AC0100	TP53	tumor protein p53	7157	preneoplastic epidermal keratinocytes	JB6 C141	-	-	-	-	Silymarin-induced apoptosis in JB6 C141 cells primarily mediated through a p53-dependent pathway, and p53-independent pathway seems to have a minor role.	15713892

MMP-AC0100 : Silymarin