Tiliroside | MMP-AC0115

	Compound Name :	Tiliroside
	Compound Class :	Flavonoid
	Synonyms :	Tiliroside; 20316-62-5; Tribuloside; Trans-Tiliroside; UNII-15M04TXR9M;
	Compound Extracted from :	Tiliroside is extracted / reported from 1 Plant(s) of Melghat Flora as below MS014: Urena lobata L.;

	Molecular Formula :	C30H26O13
	Molecular Weight :	594.5
	InChi Key :	DVGGLGXQSFURLP-VWMSDXGPSA-N
	IUPAC :	[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
	InChi :	InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
	Hydrogen Bond Donor count :	7
	Hydrogen Bond Acceptor count :	13
	Rotational Bond count :	8
	TPSA :	213
	LogP Value :	2.5

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

	PubChem CID :	5320686
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C052083
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/21889885

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0115	Colo-205	Colon	55.4±5.7 µM	-	-	-	17475387
MMP-AC0115	Jurkat	Haematopoietic and Lymphoid tissue	11.6±2.6 µM	-	-	-	17475387
MMP-AC0115	Hep G2	Liver	14.3±3.1 µM	-	-	-	17475387
MMP-AC0115	PC-3	Prostate	>200 µM	-	-	-	17475387

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0115	TOP2A	topoisomerase (DNA) II alpha 170kDa	7153	Breast adenocarcinoma	MCF-7	>50 µM	-	-	-	Tiliroside more effective against topoisomerase II than topoisomrase I. It is possible that tiliroside induce conformational DNA changes and hinder the formation of enzyme-DNA cleavable complexes.It induces both apoptosis and necrosis in breast cancer MCF-7 cells.The apoptotic cell death was observed for Tiliroside (44-46%) in a concentration range of 10 to 100µM.	18557426

MMP-AC0115 : Tiliroside