Squamostatin-E | MMP-AC0221

	Compound Name :	Squamostatin-E
	Compound Class :	Polyketides
	Synonyms :	Squamostatin-E
	Compound Extracted from :	Squamostatin-E is extracted / reported from 1 Plant(s) of Melghat Flora as below MT001: Annona squamosa Linn;

	Molecular Formula :	C37H66O7
	Molecular Weight :	622.9
	InChi Key :	VZEPVAAWZDUQLP-ZXHKTSJHSA-N
	IUPAC :	(2R)-4-[9-[(2R,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
	InChi :	InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(38)35-25-26-36(44-35)33(40)23-22-32(39)34-24-21-30(43-34)19-16-13-10-8-9-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31-,32-,33-,34+,35+,36+/m1/s1
	Hydrogen Bond Donor count :	3
	Hydrogen Bond Acceptor count :	7
	Rotational Bond count :	25
	TPSA :	105
	LogP Value :	9.7

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

	PubChem CID :	44591856
	Drugbank ID :	-
	Super Natural :	-
	CTD :	-
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/44591856

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0221	MCF-7	Breast	0.9 然	-	-	-	19285863
MMP-AC0221	HeLa	Cervix	0.27 然	-	-	-	19285863
MMP-AC0221	SMMC-7541	Liver	0.18 然	-	-	-	19285863
MMP-AC0221	A-5408	Lung	0.13 然	-	-	-	19285863
MMP-AC0221	SGC-7901	Stomach	0.21 然	-	-	-	19285863

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

MMP-AC0221 : Squamostatin-E