Squamostatin-A | MMP-AC0005

	Compound Name :	Squamostatin-A
	Compound Class :	Polyketides
	Synonyms :	Squamostatin-A; CHEMBL447119
	Compound Extracted from :	Squamostatin-A is extracted / reported from 1 Plant(s) of Melghat Flora as below MT001: Annona squamosa Linn;

	Molecular Formula :	C37H66O8
	Molecular Weight :	638.927
	InChi Key :	HKIHGTSLUYNNHM-QYGGFNKRSA-N
	IUPAC :	(2R)-4-[9-[(2R,5S)-5-[(1R,4R)-4-[(2S,5S)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
	InChi :	InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30-,31+,32-,33-,34+,35+,36+/m1/s1
	Hydrogen Bond Donor count :	4
	Hydrogen Bond Acceptor count :	7
	Rotational Bond count :	26
	TPSA :	125.68
	LogP Value :	7.36

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

	PubChem CID :	44591858
	Drugbank ID :	-
	Super Natural :	-
	CTD :	-
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/44591858

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0005	MCF-7	Breast	0.97 µM	-	-	-	19285863
MMP-AC0005	HeLa	Cervix	0.033 µM	-	-	-	19285863
MMP-AC0005	SMMC-7541	Liver	0.05.0 µM	-	-	-	19285863
MMP-AC0005	A-5408	Lung	0.0026 µM	-	-	-	19285863
MMP-AC0005	SGC-7901	Stomach	0.097 µM	-	-	-	19285863

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

MMP-AC0005 : Squamostatin-A