Glycyrrhizin | MMP-AC0050

	Compound Name :	Glycyrrhizin
	Compound Class :	Terpenoids
	Synonyms :	Uralsaponin A; glycyrrhizin; Glycyrrhizic acid; AC1L2TF0; Glycyrrhizin (JAN);
	Compound Extracted from :	Glycyrrhizin is extracted / reported from 1 Plant(s) of Melghat Flora as below MS029: Abrus precatorius L.;

	Molecular Formula :	C42H62O16
	Molecular Weight :	822.9
	InChi Key :	LPLVUJXQOOQHMX-MOGLOQIBSA-N
	IUPAC :	(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
	InChi :	InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1
	Hydrogen Bond Donor count :	8
	Hydrogen Bond Acceptor count :	16
	Rotational Bond count :	7
	TPSA :	267
	LogP Value :	3.7

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

	PubChem CID :	128229
	Drugbank ID :	DB13751
	Super Natural :	-
	CTD :	D019695
	HIT :	C0267
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/25746576

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0050	HeLa	Cervix	>0.1 mM	-	-	-	18600055
MMP-AC0050	P-388	Haematopoietic and Lymphoid tissue	>0.1 mM	-	-	-	18600055
MMP-AC0050	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-AC0050	JUN	jun proto-oncogene	3725	Hepatoma	Hep G2	-	-	-	-	Glycyrrhizin induced the AP-1/TATA reporter activity in a dose-dependent fashion, which was judged by chloramphenicol acetyltransferase assay and electrophoretic mobility-shift assay. Similar results were observed in HepG2 and Vero cells, suggested that glycyrrhizin effect was cell type independent. These results suggested that glycyrrhizin activated AP-1/TATA synthetic promoter in a dose-dependent manner, resulted in a 2.5-fold induction in HepG2 cell.	11991252

MMP-AC0050 : Glycyrrhizin