Neritaloside | MMP-AC0205

	Compound Name :	Neritaloside
	Compound Class :	Steroids
	Synonyms :	Neritaloside 465-13-4 Card-20(22)-enolide, 16-(acetyloxy)-3-((6-deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta,16-beta)- 16-Acetylstrospeside Strospeside, 16-acetate
	Compound Extracted from :	Neritaloside is extracted / reported from 1 Plant(s) of Melghat Flora as below MS091: Dendrophthoe falcata (L.f.) Ettingsh.;

	Molecular Formula :	C32H48O10
	Molecular Weight :	592.7
	InChi Key :	UZQOZJNEDXAJEZ-VZJXLKLWSA-N
	IUPAC :	[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
	InChi :	InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16-,19-,20+,21+,22-,23+,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1
	Hydrogen Bond Donor count :	3
	Hydrogen Bond Acceptor count :	10
	Rotational Bond count :	6
	TPSA :	141
	LogP Value :	1.4

	Lipinski Rule of Five :	NO
	Ghose Filter :	NO
	Veber Filter :	NO
	Muegge Filter :	YES

	PubChem CID :	44566654
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C415147
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/44566654#section=Computed-Properties

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0205	MAXF 401NL	Breast	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	MCF-7	Breast	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	UXF 1138L	Endometrium	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	RXF 486L	Kidney	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	RXF 944L	Kidney	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	LXFA 629L	Lung	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	LXFL 529L	Lung	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	MEXF 462NL	Skin	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	MEXF 514L	Skin	0.071 痢/ml	-	-	-	21291990
MMP-AC0205	GXF 251L	Stomach	0.071 痢/ml	-	-	-	21291990

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References

MMP-AC0205 : Neritaloside